2-(4-tert-butylphenyl)-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-(4-tert-butylphenyl)-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-(4-tert-butylphenyl)-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole CAS Name: 2-(4-tert-butylphenyl)-4-[4-(1H-imidazol-5-ylmethyl)-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-tert-butylphenyl)-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-(4-tert-butylphenyl)-4-[4-(1H-imidazol-5-ylmethyl)piperazino]-1H-benzimidazole Formula: C25H30N6 MolecularWeight: 414.5459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6/c1-25(2,3)19-9-7-18(8-10-19)24-28-21-5-4-6-22(23(21)29-24)31-13-11-30(12-14-31)16-20-15-26-17-27-20/h4-10,15,17H,11-14,16H2,1-3H3,(H,26,27)(H,28,29)