3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one

Systemtic Name: 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one Openeye Name: 3-[(1-isopentylbenzimidazol-2-yl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one CAS Name: 3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one IUPAC Name: 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one Traditional Name: 3-[(1-isoamylbenzimidazol-2-yl)methyl]-5-(trifluoromethyl)-1H-benzimidazol-2-one Formula: C21H21F3N4O MolecularWeight: 402.41285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=C(C=CC(=C4)C(F)(F)F)NC3=O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=C(C=CC(=C4)C(F)(F)F)NC3=O

InChI

InChI=1S/C21H21F3N4O/c1-13(2)9-10-27-17-6-4-3-5-15(17)25-19(27)12-28-18-11-14(21(22,23)24)7-8-16(18)26-20(28)29/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,29)