Molecule ID: 124202396

IUPAC Name: 5-amino-1-benzoylimidazole-4-carbonitrile

Description: The molecule is an aminoimidazole that is 5-amino-1H-imidazole which is substituted at positions 1 and 4 by benzoyl and cyano groups, respectively. It is an aminoimidazole, a nitrile, a primary amino compound and a N-acylimidazole.

SMILES: N#Cc1ncn(C(=O)c2ccccc2)c1N

SELFIES: [N][#C][C][N][=C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][N]

InChI: InChI=1S/C11H8N4O/c12-6-9-10(13)15(7-14-9)11(16)8-4-2-1-3-5-8/h1-5,7H,13H2

Molecular Properties:
- Polar Surface Area: 84.7 Ų
- LogP: 1.8