2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole CAS Name: 2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)piperazino]-1H-benzimidazole Formula: C26H31N5 MolecularWeight: 413.55784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=CC=CN5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=CC=CN5

InChI

InChI=1S/C26H31N5/c1-26(2,3)20-11-9-19(10-12-20)25-28-22-7-4-8-23(24(22)29-25)31-16-14-30(15-17-31)18-21-6-5-13-27-21/h4-13,27H,14-18H2,1-3H3,(H,28,29)