Molecule ID: 35802

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

Description: The molecule is a member of the class of mebendazole in which the benzoyl group is replaced by a p-fluorobenzoyl group. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. It has a role as an antinematodal drug and a teratogenic agent. It is a member of benzimidazoles, a carbamate ester, an organofluorine compound and an aromatic ketone.

SMILES: COC(O)=Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1

SELFIES: [C][O][C][Branch1][C][O][=N][C][=N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][NH1][Ring2][Ring1][C]

InChI: InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)

Molecular Properties:
- Polar Surface Area: 84.1 Ų
- LogP: 2.9