Molecule ID: 153395

IUPAC Name: methyl N-[6-(4-hydroxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate

Description: The molecule is a member of the class of benzimidazoles that is fenbendazole in which the hydrogen at position 4 on the phenyl ring has been replaced by a hydroxy group. It has a role as a drug metabolite and a marine xenobiotic metabolite. It is a member of benzimidazoles, a carbamate ester, an aryl sulfide and a member of phenols. It derives from a fenbendazole.

SMILES: COC(O)=Nc1nc2ccc(Sc3ccc(O)cc3)cc2[nH]1

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

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

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 3.2