1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenylpiperidin-4-yl)methyl]benzimidazol-5-amine

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenylpiperidin-4-yl)methyl]benzimidazol-5-amine Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenyl-4-piperidyl)methyl]benzimidazol-5-amine CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-[(4-phenyl-4-piperidinyl)methyl]-5-benzimidazolamine IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-[(4-phenylpiperidin-4-yl)methyl]benzimidazol-5-amine Traditional Name: 1-phenylethyl-[4-[5-[(4-phenyl-4-piperidyl)methylamino]benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C31H33N7 MolecularWeight: 503.64062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5(CCNCC5)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5(CCNCC5)C6=CC=CC=C6

InChI

InChI=1S/C31H33N7/c1-23(24-8-4-2-5-9-24)36-30-33-17-14-29(37-30)38-22-35-27-20-26(12-13-28(27)38)34-21-31(15-18-32-19-16-31)25-10-6-3-7-11-25/h2-14,17,20,22-23,32,34H,15-16,18-19,21H2,1H3,(H,33,36,37)