Molecule ID: 5479

IUPAC Name: 1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole

Description: The molecule is 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent. It has a role as an antiprotozoal drug, an antibacterial drug and an antiparasitic agent.

SMILES: CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C

SELFIES: [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][Branch2][C]

InChI: InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -0.4