N-(1-phenylethyl)-4-[5-(4-pyrrol-1-ylphenyl)benzimidazol-1-yl]pyrimidin-2-amine

Systemtic Name: N-(1-phenylethyl)-4-[5-(4-pyrrol-1-ylphenyl)benzimidazol-1-yl]pyrimidin-2-amine Openeye Name: N-(1-phenylethyl)-4-[5-(4-pyrrol-1-ylphenyl)benzimidazol-1-yl]pyrimidin-2-amine CAS Name: N-(1-phenylethyl)-4-[5-[4-(1-pyrrolyl)phenyl]-1-benzimidazolyl]-2-pyrimidinamine IUPAC Name: N-(1-phenylethyl)-4-[5-(4-pyrrol-1-ylphenyl)benzimidazol-1-yl]pyrimidin-2-amine Traditional Name: 1-phenylethyl-[4-[5-(4-pyrrol-1-ylphenyl)benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C29H24N6 MolecularWeight: 456.54106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC=C(C=C5)N6C=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC=C(C=C5)N6C=CC=C6

InChI

InChI=1S/C29H24N6/c1-21(22-7-3-2-4-8-22)32-29-30-16-15-28(33-29)35-20-31-26-19-24(11-14-27(26)35)23-9-12-25(13-10-23)34-17-5-6-18-34/h2-21H,1H3,(H,30,32,33)