[5,6-di(imidazol-1-yl)-1H-benzimidazol-2-yl]-(2,6-dimethoxyphenyl)methanamine

Systemtic Name: [5,6-di(imidazol-1-yl)-1H-benzimidazol-2-yl]-(2,6-dimethoxyphenyl)methanamine Openeye Name: [5,6-di(imidazol-1-yl)-1H-benzimidazol-2-yl]-(2,6-dimethoxyphenyl)methanamine CAS Name: [5,6-bis(1-imidazolyl)-1H-benzimidazol-2-yl]-(2,6-dimethoxyphenyl)methanamine IUPAC Name: [5,6-di(imidazol-1-yl)-1H-benzimidazol-2-yl]-(2,6-dimethoxyphenyl)methanamine Traditional Name: [[5,6-di(imidazol-1-yl)-1H-benzimidazol-2-yl]-(2,6-dimethoxyphenyl)methyl]amine Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=NC3=CC(=C(C=C3N2)N4C=CN=C4)N5C=CN=C5)N

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=NC3=CC(=C(C=C3N2)N4C=CN=C4)N5C=CN=C5)N

InChI

InChI=1S/C22H21N7O2/c1-30-18-4-3-5-19(31-2)20(18)21(23)22-26-14-10-16(28-8-6-24-12-28)17(11-15(14)27-22)29-9-7-25-13-29/h3-13,21H,23H2,1-2H3,(H,26,27)