Molecule ID: 3276

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

Description: The molecule is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1H-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells. It has a role as an antineoplastic agent, a prodrug, an alkylating agent and a radiosensitizing agent. It is a member of imidazoles, a C-nitro compound and a monocarboxylic acid amide. It derives from an ethanolamine.

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

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

InChI: InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -1.3