Molecule ID: 40854

IUPAC Name: methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate

Description: The molecule is a member of the class of benzimidazoles that is fenbendazole in which the sulfur has been oxidised to the corresponding sulfoxide. It has a role as an antinematodal drug. It is a sulfoxide, a member of benzimidazoles and a carbamate ester. It derives from a fenbendazole.

SMILES: COC(O)=Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1

SELFIES: [C][O][C][Branch1][C][O][=N][C][=N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][NH1][Ring1][P]

InChI: InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 2.3