4,5-dihydro-1H-imidazol-5-one

AlkaPlorer ID: AK122493

Synonym: None

IUPAC Name: 1,4-dihydroimidazol-5-one

Structure

SMILES: O=C1CN=CN1

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InChI: InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)

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InChIKey: CAAMSDWKXXPUJR-UHFFFAOYSA-N

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Reference

PubChem CID: 504

CAS: 1968-28-1

NPASS: NPC324096

COCONUT: CNP0321519

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 84.07799999999999

TPSA: 41.46

MolLogP: -0.8554999999999999

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Olfactory receptor 51E2 EC50 0.0076 nM None
Homo sapiens Olfactory receptor 51E2 Ratio 0.678 None None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT020559 Nc1c[nH]cn1>>O=C1CN=CN1 R13-RXN
AKRT021063 Nc1cnc[nH]1>>O=C1CNC=N1 R04731
AKRT023564 O=C1CN=CN1>>N=CNCC(=O)O R63-RXN
AKRT023570 O=C1CNC=N1>>N=CNCC(=O)O R04026