Molecule ID: 131841459

IUPAC Name: methyl N-[6-(3-hydroxypropylsulfanyl)-1H-benzimidazol-2-yl]carbamate

Description: The molecule is a member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group. It has a role as a drug metabolite. It is a member of benzimidazoles, a carbamate ester, an aryl sulfide and a primary alcohol. It derives from an albendazole.

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

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

InChI: InChI=1S/C12H15N3O3S/c1-18-12(17)15-11-13-9-4-3-8(7-10(9)14-11)19-6-2-5-16/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14,15,17)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.7