N6-[(1R,2R)-2-azanylcyclohexyl]-N4-[(4-phenylphenyl)methyl]-1-propan-2-yl-benzimidazole-4,6-diamine

Systemtic Name: N6-[(1R,2R)-2-azanylcyclohexyl]-N4-[(4-phenylphenyl)methyl]-1-propan-2-yl-benzimidazole-4,6-diamine Openeye Name: N6-[(1R,2R)-2-aminocyclohexyl]-1-isopropyl-N4-[(4-phenylphenyl)methyl]benzimidazole-4,6-diamine CAS Name: N6-[(1R,2R)-2-aminocyclohexyl]-N4-[(4-phenylphenyl)methyl]-1-propan-2-ylbenzimidazole-4,6-diamine IUPAC Name: 6-N-[(1R,2R)-2-aminocyclohexyl]-4-N-[(4-phenylphenyl)methyl]-1-propan-2-ylbenzimidazole-4,6-diamine Traditional Name: [(1R,2R)-2-aminocyclohexyl]-[3-isopropyl-7-[(4-phenylbenzyl)amino]benzimidazol-5-yl]amine Formula: C29H35N5 MolecularWeight: 453.6217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C(C=C(C=C21)NC3CCCCC3N)NCC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C=NC2=C(C=C(C=C21)N[C@@H]3CCCC[C@H]3N)NCC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H35N5/c1-20(2)34-19-32-29-27(16-24(17-28(29)34)33-26-11-7-6-10-25(26)30)31-18-21-12-14-23(15-13-21)22-8-4-3-5-9-22/h3-5,8-9,12-17,19-20,25-26,31,33H,6-7,10-11,18,30H2,1-2H3/t25-,26-/m1/s1