Molecule ID: 4122

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

Description: The molecule is a member of the class of benzimidazoles that is benzimidalole which is substituted at position 2 by a (methoxycarbonyl)amino group and at position 5 by a 2-thienoyl group. It is an antineoplastic agent that exerts its effect by depolymerising microtubules. It has a role as an antineoplastic agent, a tubulin modulator, an antimitotic and a microtubule-destabilising agent. It is a member of thiophenes, a member of benzimidazoles, a carbamate ester and an aromatic ketone.

SMILES: COC(O)=Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1

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

InChI: InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 2.8