2-(3-methylphenyl)-1-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropoxy)benzimidazole

Systemtic Name: 2-(3-methylphenyl)-1-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropoxy)benzimidazole Openeye Name: 1-benzyl-2-(m-tolyl)-6-(3-pyrrolidin-1-ylpropoxy)benzimidazole CAS Name: 2-(3-methylphenyl)-1-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propoxy]benzimidazole IUPAC Name: 1-benzyl-2-(3-methylphenyl)-6-(3-pyrrolidin-1-ylpropoxy)benzimidazole Traditional Name: 1-benzyl-2-(m-tolyl)-6-(3-pyrrolidinopropoxy)benzimidazole Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)C=C(C=C3)OCCCN5CCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)C=C(C=C3)OCCCN5CCCC5

InChI

InChI=1S/C28H31N3O/c1-22-9-7-12-24(19-22)28-29-26-14-13-25(32-18-8-17-30-15-5-6-16-30)20-27(26)31(28)21-23-10-3-2-4-11-23/h2-4,7,9-14,19-20H,5-6,8,15-18,21H2,1H3