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

Systemtic Name: 2-(3-methylphenyl)-1-(phenylmethyl)-6-(2-pyrrolidin-1-ylethoxy)benzimidazole Openeye Name: 1-benzyl-2-(m-tolyl)-6-(2-pyrrolidin-1-ylethoxy)benzimidazole CAS Name: 2-(3-methylphenyl)-1-(phenylmethyl)-6-[2-(1-pyrrolidinyl)ethoxy]benzimidazole IUPAC Name: 1-benzyl-2-(3-methylphenyl)-6-(2-pyrrolidin-1-ylethoxy)benzimidazole Traditional Name: 1-benzyl-2-(m-tolyl)-6-(2-pyrrolidinoethoxy)benzimidazole Formula: C27H29N3O MolecularWeight: 411.53866

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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)OCCN5CCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)C=C(C=C3)OCCN5CCCC5

InChI

InChI=1S/C27H29N3O/c1-21-8-7-11-23(18-21)27-28-25-13-12-24(31-17-16-29-14-5-6-15-29)19-26(25)30(27)20-22-9-3-2-4-10-22/h2-4,7-13,18-19H,5-6,14-17,20H2,1H3