Molecule ID: 28780

IUPAC Name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate

Description: The molecule is a member of the class of benzimidazoles that is the methyl ester of [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops. It has a role as an anthelminthic drug, a tubulin modulator, a microtubule-destabilising agent, an acaricide and an antifungal agrochemical. It is a member of benzimidazoles, a carbamate ester, an aromatic amide, a benzimidazole fungicide and a benzimidazolylcarbamate fungicide.

SMILES: CCCCN=C(O)n1c(N=C(O)OC)nc2ccccc21

SELFIES: [C][C][C][C][N][=C][Branch1][C][O][N][C][Branch1][Branch2][N][=C][Branch1][C][O][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]

InChI: InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 2.1