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

Systemtic Name: N6-[(1R,2S)-2-azanylcyclohexyl]-1-propan-2-yl-N4-[(4-pyridin-2-ylphenyl)methyl]benzimidazole-4,6-diamine Openeye Name: N6-[(1R,2S)-2-aminocyclohexyl]-1-isopropyl-N4-[[4-(2-pyridyl)phenyl]methyl]benzimidazole-4,6-diamine CAS Name: N6-[(1R,2S)-2-aminocyclohexyl]-1-propan-2-yl-N4-[[4-(2-pyridinyl)phenyl]methyl]benzimidazole-4,6-diamine IUPAC Name: 6-N-[(1R,2S)-2-aminocyclohexyl]-1-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]benzimidazole-4,6-diamine Traditional Name: [(1R,2S)-2-aminocyclohexyl]-[3-isopropyl-7-[[4-(2-pyridyl)benzyl]amino]benzimidazol-5-yl]amine Formula: C28H34N6 MolecularWeight: 454.60976

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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=N5

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=N5

InChI

InChI=1S/C28H34N6/c1-19(2)34-18-32-28-26(15-22(16-27(28)34)33-25-9-4-3-7-23(25)29)31-17-20-10-12-21(13-11-20)24-8-5-6-14-30-24/h5-6,8,10-16,18-19,23,25,31,33H,3-4,7,9,17,29H2,1-2H3/t23-,25+/m0/s1