Molecule ID: 124079410

IUPAC Name: 2-(5-amino-4-cyanoimidazol-1-yl)benzoic acid

Description: The molecule is a member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by a 5-amino-4-cyano-1H-imidazol-1-yl group. It is an aminoimidazole, a member of benzoic acids, a nitrile and a primary amino compound.

SMILES: N#Cc1ncn(-c2ccccc2C(=O)O)c1N

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

InChI: InChI=1S/C11H8N4O2/c12-5-8-10(13)15(6-14-8)9-4-2-1-3-7(9)11(16)17/h1-4,6H,13H2,(H,16,17)

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 1.5