Navigation

name Structure Reference Source Properties Activities Metabolism

methyl N-[1-(butylcarbamoyl)-1H-1,3-benzodiazol-2-yl]carbamate

AlkaPlorer ID: AK064469

Synonym: None

IUPAC Name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate

Structure

SMILES: CCCCN=C(O)N1C(N=C(O)OC)=NC2=CC=CC=C21

copy

InChI: InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)

copy

InChIKey: RIOXQFHNBCKOKP-UHFFFAOYSA-N

copy

Reference

PubChem CID: 28780

CAS: 17804-35-2

NPASS: NPC330923

COCONUT: CNP0174944

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 290.323

TPSA？: 92.23

MolLogP？: 2.790400000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Alternaria alternata Alternaria alternata GI 0.0 % 10.1021/jf990948g
Alternaria citri Alternaria citri EC50 200.0 ug.mL-1 10.1021/jf990509h
Alternaria citri Alternaria citri EC50 200.0 ug.mL-1 10.1021/np0105073
Alternaria citri Alternaria citri EC90 200.0 ug ml-1 10.1021/jf990509h
Alternaria citri Alternaria citri EC90 200.0 ug ml-1 10.1021/np0105073
Alternaria citri Alternaria citri MIC 200.0 ug.mL-1 10.1021/jf990509h
Alternaria citri Alternaria citri MIC 200.0 ug.mL-1 10.1021/np0105073
Aspergillus flavus Aspergillus flavus IZ 14.0 mm 10.1021/np050086f
Aspergillus fumigatus Aspergillus fumigatus MFC nan None None
Aspergillus niger Aspergillus niger Activity nan None 10.1074/jbc.m705856200
Aspergillus parasiticus Aspergillus parasiticus GI 100.0 % 10.1021/jf990948g
Aspergillus parasiticus Aspergillus parasiticus IZ 8.33 mm 10.1021/jf071568v
Aspergillus parasiticus Aspergillus parasiticus IZ 18.0 mm 10.1016/j.bmc.2013.03.042
Aspergillus parasiticus Aspergillus parasiticus IZ 29.33 mm 10.1016/j.bmc.2012.09.033
Aspergillus parasiticus Aspergillus parasiticus MIC 25.0 ug.mL-1 10.1021/jf035233z
Blumeria hordei Blumeria hordei Activity 75.0 % 10.1021/jf203017f
Blumeria hordei Blumeria hordei Activity 100.0 % 10.1021/jf203017f
Blumeria hordei Blumeria hordei Efficacy 90.0 % 10.1021/jf900674y
Blumeria hordei Blumeria hordei Efficacy 100.0 % 10.1021/jf900674y
Botrytis cinerea Botrytis cinerea GI nan None 10.1021/jf0259361
Botrytis cinerea Botrytis cinerea Inhibition 85.0 % 10.1021/np0105073
Botrytis cinerea Botrytis cinerea MIC 0.19 ug.mL-1 10.1021/jf035233z
Botrytis cinerea Botrytis cinerea MIC 200.0 ug.mL-1 10.1021/np0105073
Candida albicans Candida albicans MFC 512.0 ug ml-1 None
Candida albicans Candida albicans MIC 20.0 ug.mL-1 10.1128/aac.00182-07
Cladosporium cucumerinum Cladosporium cucumerinum IZ 15.0 mm 10.1021/np050086f
Cladosporium cucumerinum Cladosporium cucumerinum IZ 20.0 mm 10.1021/np010332x
Cladosporium cucumerinum Cladosporium cucumerinum IZ 20.0 mm 10.1021/np0304058
Cladosporium herbarum Cladosporium herbarum Inhibition 85.0 % 10.1021/np0105073
Cladosporium herbarum Cladosporium herbarum MIC 25.0 ug 10.1021/np0301339
Cladosporium herbarum Cladosporium herbarum MIC 200.0 ug.mL-1 10.1021/np0105073
Colletotrichum acutatum Colletotrichum acutatum GI 33.0 % 10.1016/s1099-4831(07)64004-8
Colletotrichum acutatum Colletotrichum acutatum GI 33.0 % 10.1021/jf0259361
Colletotrichum acutatum Colletotrichum acutatum GI nan None 10.1021/jf802820d
Colletotrichum acutatum Colletotrichum acutatum Inhibition nan % 10.1021/jf071379c
Colletotrichum acutatum Colletotrichum acutatum IZ 18.0 mm 10.1021/jf0608773
Colletotrichum coccodes Colletotrichum coccodes GI 100.0 % 10.1021/jf990948g
Colletotrichum fragariae Colletotrichum fragariae Activity 21.3 mm 10.1021/jf071379c
Colletotrichum fragariae Colletotrichum fragariae GI 21.3 % 10.1021/jf802820d
Colletotrichum fragariae Colletotrichum fragariae GI 76.0 % 10.1016/s1099-4831(07)64004-8
Colletotrichum fragariae Colletotrichum fragariae GI 76.0 % 10.1021/jf0259361
Colletotrichum fragariae Colletotrichum fragariae IZ 18.33 mm 10.1021/jf0608773
Colletotrichum gloeosporioides Colletotrichum gloeosporioides GI 66.0 % 10.1021/jf0259361
Colletotrichum gloeosporioides Colletotrichum gloeosporioides GI 100.0 % 10.1021/jf990948g
Colletotrichum gloeosporioides Colletotrichum gloeosporioides GI nan None 10.1021/jf802820d
Colletotrichum gloeosporioides Colletotrichum gloeosporioides Inhibition nan % 10.1021/jf071379c
Colletotrichum gloeosporioides Colletotrichum gloeosporioides IZ 19.33 mm 10.1021/jf0608773
Colletotrichum gloeosporioides Colletotrichum gloeosporioides IZ 26.67 mm 10.1021/jf071568v
Diaporthe ampelina Diaporthe ampelina GI 57.0 % 10.1021/jf0259361
Epidermophyton floccosum Epidermophyton floccosum MFC nan None None
Fusarium avenaceum Fusarium avenaceum EC50 0.02 ug.mL-1 10.1021/jf990509h
Fusarium avenaceum Fusarium avenaceum EC50 0.02 ug.mL-1 10.1021/np0105073
Fusarium avenaceum Fusarium avenaceum EC90 200.0 ug ml-1 10.1021/jf990509h
Fusarium avenaceum Fusarium avenaceum EC90 200.0 ug ml-1 10.1021/np0105073
Fusarium avenaceum Fusarium avenaceum MIC 100.0 ug.mL-1 10.1021/jf990509h
Fusarium avenaceum Fusarium avenaceum MIC 100.0 ug.mL-1 10.1021/np0105073
Fusarium culmorum Fusarium culmorum GI 87.0 % 10.1021/jf990948g
Fusarium culmorum Fusarium culmorum IZ 18.0 mm 10.1016/j.bmc.2013.03.042
Fusarium culmorum Fusarium culmorum IZ 19.0 mm 10.1021/jf071568v
Fusarium culmorum Fusarium culmorum IZ 27.66 mm 10.1016/j.bmc.2012.09.033
Fusarium graminearum Fusarium graminearum EC50 0.61 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 3.02 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 3.19 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 3.93 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 4.46 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 5.81 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 6.05 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 8.83 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 14.99 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 17.68 ug.mL-1 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum EC50 nan None 10.1002/ps.2050
Fusarium graminearum Fusarium graminearum MIC 0.6 ug.mL-1 10.1021/jf025940c
Fusarium odoratissimum Fusarium odoratissimum Activity 22.2 % 10.1016/j.cropro.2006.06.008
Fusarium odoratissimum Fusarium odoratissimum Activity 66.7 % 10.1016/j.cropro.2006.06.008
Fusarium odoratissimum Fusarium odoratissimum Activity 72.2 % 10.1016/j.cropro.2006.06.008
Fusarium odoratissimum Fusarium odoratissimum GI nan None 10.1016/j.cropro.2006.06.008
Fusarium oxysporum Fusarium oxysporum GI 77.0 % 10.1016/s1099-4831(07)64004-8
Fusarium oxysporum Fusarium oxysporum GI 77.0 % 10.1021/jf0259361
Fusarium oxysporum f. sp. gladioli Fusarium oxysporum f. sp. gladioli GI 11.1 % 10.1021/jf990948g
Fusarium oxysporum f. sp. gladioli Fusarium oxysporum f. sp. gladioli IZ 9.33 mm 10.1021/jf071568v
Fusarium oxysporum f. sp. lycopersici Fusarium oxysporum f. sp. lycopersici MIC 1.5 ug.mL-1 10.1021/jf025940c
Fusarium oxysporum f. sp. niveum Fusarium oxysporum f. sp. niveum GI 100.0 % 10.1021/jf990948g
Fusarium oxysporum f. sp. niveum Fusarium oxysporum f. sp. niveum IZ 17.33 mm 10.1021/jf071568v
Geotrichum candidum Geotrichum candidum GI 0.0 % 10.1021/jf990948g
Geotrichum candidum Geotrichum candidum IZ 0.0 mm 10.1016/j.bmc.2012.09.033
Geotrichum candidum Geotrichum candidum IZ 0.0 mm 10.1016/j.bmc.2013.03.042
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 35481.3 nM None
Homo sapiens Anandamide amidohydrolase Inhibition 34.0 % 10.1016/j.bmcl.2009.09.086
Homo sapiens Androgen Receptor Potency 3162.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 12589.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 14125.4 nM None
Homo sapiens Cytochrome P450 3A4 IC50 10000.0 nM None
Homo sapiens Glucocorticoid receptor Potency 1778.3 nM None
Homo sapiens Glucocorticoid receptor Potency 15848.9 nM None
Homo sapiens Glucocorticoid receptor Potency 39810.7 nM None
Homo sapiens Interleukin-8 Potency 47307.9 nM None
Homo sapiens Lymphoblastoid cell Potency 12589.3 nM None
Homo sapiens Lymphoblastoid cell Potency 15848.9 nM None
Homo sapiens Lymphoblastoid cell Potency 25118.9 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 14960.1 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 21689.9 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 23710.1 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 12589.3 nM None
Homo sapiens Retinoid X receptor alpha Potency 7079.5 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Homo sapiens Vitamin D receptor Potency 7079.5 nM None
Monilinia laxa Monilinia laxa Activity 0.0 % 10.1016/j.cropro.2012.04.001
Monilinia laxa Monilinia laxa Activity 80.01 % 10.1016/j.cropro.2012.04.001
Monilinia laxa Monilinia laxa Activity 100.0 % 10.1016/j.cropro.2012.04.001
Musa acuminata AAA Group Musa acuminata AAA Group Activity nan None 10.1016/j.cropro.2006.06.008
Nakaseomyces glabratus Nakaseomyces glabratus MFC 512.0 ug ml-1 None
Penicillium brevicompactum Penicillium brevicompactum MIC 25.0 ug.mL-1 10.1021/jf035233z
Penicillium italicum Penicillium italicum GI 100.0 % 10.1021/jf990948g
Penicillium italicum Penicillium italicum IZ 16.67 mm 10.1021/jf071568v
Phomopsis obscurans Phomopsis obscurans GI 100.0 % 10.1016/s1099-4831(07)64004-8
Phomopsis obscurans Phomopsis obscurans GI nan None 10.1021/jf0259361
Phytophthora citrophthora Phytophthora citrophthora GI 100.0 % 10.1021/jf990948g
Phytophthora citrophthora Phytophthora citrophthora IZ 17.13 mm 10.1021/jf071568v
Phytophthora citrophthora Phytophthora citrophthora IZ 24.5 mm 10.1016/j.bmc.2013.03.042
Phytophthora citrophthora Phytophthora citrophthora IZ 44.33 mm 10.1016/j.bmc.2012.09.033
Plenodomus biglobosus Plenodomus biglobosus Activity 4.5 % 10.1002/ps.1890
Plenodomus biglobosus Plenodomus biglobosus Activity 81.6 % 10.1002/ps.1890
Plenodomus biglobosus Plenodomus biglobosus Activity 85.5 % 10.1002/ps.1890
Plenodomus biglobosus Plenodomus biglobosus Activity 94.0 % 10.1002/ps.1890
Plenodomus biglobosus Plenodomus biglobosus Activity nan None 10.1002/ps.1890
Plenodomus biglobosus Plenodomus biglobosus Inhibition 15.0 % 10.1002/ps.1890
Plenodomus lingam Plenodomus lingam Activity 46.8 % 10.1002/ps.1890
Plenodomus lingam Plenodomus lingam Activity 65.8 % 10.1002/ps.1890
Plenodomus lingam Plenodomus lingam Activity 68.3 % 10.1002/ps.1890
Plenodomus lingam Plenodomus lingam Activity 96.0 % 10.1002/ps.1890
Plenodomus lingam Plenodomus lingam Activity nan None 10.1002/ps.1890
Plenodomus lingam Plenodomus lingam Inhibition 80.0 % 10.1002/ps.1890
Pyricularia grisea Pyricularia grisea EC50 0.06 ug.mL-1 10.1021/jf990509h
Pyricularia grisea Pyricularia grisea EC50 0.06 ug.mL-1 10.1021/np0105073
Pyricularia grisea Pyricularia grisea EC50 0.06 ug.mL-1 10.1021/np0301339
Pyricularia grisea Pyricularia grisea EC90 84.0 ug ml-1 10.1021/jf990509h
Pyricularia grisea Pyricularia grisea EC90 84.0 ug ml-1 10.1021/np0105073
Pyricularia grisea Pyricularia grisea MIC 200.0 ug.mL-1 10.1021/jf990509h
Pyricularia grisea Pyricularia grisea MIC 200.0 ug.mL-1 10.1021/np0105073
Pyricularia grisea Pyricularia grisea MIC 200.0 ug.mL-1 10.1021/np0301339
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 11220.2 nM None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 35481.3 nM None
Rhizoctonia solani Rhizoctonia solani Activity 0.0 mm 10.1016/j.cropro.2005.11.008
Rhizoctonia solani Rhizoctonia solani Activity 9.6 mm 10.1016/j.cropro.2005.11.008
Rhizoctonia solani Rhizoctonia solani Activity 38.8 mm 10.1016/j.cropro.2005.11.008
Rhizoctonia solani Rhizoctonia solani EC50 0.352 ug.mL-1 10.1016/j.cropro.2005.11.008
Rhizoctonia solani Rhizoctonia solani EC90 17.43 mg/L 10.1016/j.cropro.2005.11.008
Rhizoctonia solani Rhizoctonia solani MIC 6.2 ug.mL-1 10.1021/jf025940c
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 4.0 mm 10.1016/j.ejmech.2010.07.050
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 9.0 mm 10.1016/j.ejmech.2010.07.050
Trichoderma viride Trichoderma viride GI 100.0 % 10.1021/jf990948g
Trichoderma viride Trichoderma viride IZ 12.33 mm 10.1021/jf071568v
Trichoderma viride Trichoderma viride IZ 22.0 mm 10.1016/j.bmc.2013.03.042
Trichoderma viride Trichoderma viride IZ 29.33 mm 10.1016/j.bmc.2012.09.033
Trichophyton mentagrophytes Trichophyton mentagrophytes MFC nan None None
Trichophyton rubrum Trichophyton rubrum MFC nan None None
Trichothecium roseum Trichothecium roseum GI 100.0 % 10.1021/jf990948g
Trichothecium roseum Trichothecium roseum IZ 29.67 mm 10.1021/jf071568v
Verticillium dahliae Verticillium dahliae GI 100.0 % 10.1021/jf990948g
Verticillium dahliae Verticillium dahliae IZ 14.32 mm 10.1021/jf071568v
Zymoseptoria tritici Zymoseptoria tritici MIC 0.6 ug.mL-1 10.1021/jf025940c
None Molecular identity unknown MIC 64.0 ug.mL-1 None
None Molecular identity unknown MIC nan None None
None NON-PROTEIN TARGET MIC 64.0 ug.mL-1 None
None NON-PROTEIN TARGET MIC nan None None
None Unchecked Activity nan None 10.1016/j.ejmech.2010.07.050
None Unchecked Anticonvulsant activity nan None 10.1016/s0960-894x(03)00535-3
None Unchecked Potency 15848.9 nM None

Metabolism Information