Bendazol
AlkaPlorer ID: AK027396
Synonym: None
IUPAC Name: 2-benzyl-1H-benzimidazole
Structure
SMILES: C1=CC=C(CC2=NC3=CC=CC=C3N2)C=C1
InChI: InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChIKey: YTLQFZVCLXFFRK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Illicium verum | Illicium | Schisandraceae | Austrobaileyales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 208.26400000000004
TPSA？: 28.68
MolLogP？: 3.1537000000000006
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 39810.7 | nM | None |
| Homo sapiens | Geminin | Potency | 4466.8 | nM | None |
| Homo sapiens | HepG2 | Potency | 35481.3 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 50118.7 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 1651.1 | nM | None |
| Rattus norvegicus | Cytochrome P450 2B1 | IC50 | 91201.08 | nM | 10.1021/jm00350a002 |
| None | No relevant target | LogP | 3.46 | None | 10.1021/jm00350a002 |
| None | Unchecked | IC50 | 18400.0 | nM | 10.1016/j.bmc.2016.03.012 |
| None | Unchecked | Inhibition | 43.0 | % | 10.1016/j.bmc.2016.03.012 |