Molecule ID: 31593

IUPAC Name: N-benzyl-2-(2-nitroimidazol-1-yl)acetamide

Description: The molecule is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. It has a role as an antiprotozoal drug. It is a member of imidazoles, a C-nitro compound and a monocarboxylic acid amide.

SMILES: O=[N+]([O-])c1nccn1CC(O)=NCc1ccccc1

SELFIES: [O][=N+1][Branch1][C][O-1][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][O][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)

Molecular Properties:
- Polar Surface Area: 92.7 Ų
- LogP: 0.9