2-[2-(4-tert-butylphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide trihydrochloride

Systemtic Name: 2-[2-(4-tert-butylphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide trihydrochloride Openeye Name: 2-[2-(4-tert-butylphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamidine trihydrochloride CAS Name: 2-[2-(4-tert-butylphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide trihydrochloride IUPAC Name: 2-[2-(4-tert-butylphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide trihydrochloride Traditional Name: 2-[2-(4-tert-butylphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamidine trihydrochloride Formula: C25H27Cl3N6 MolecularWeight: 517.88108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=N)N.Cl.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=N)N.Cl.Cl.Cl

InChI

InChI=1S/C25H24N6.3ClH/c1-25(2,3)17-8-4-14(5-9-17)23-28-19-11-7-16(13-21(19)30-23)24-29-18-10-6-15(22(26)27)12-20(18)31-24;;;/h4-13H,1-3H3,(H3,26,27)(H,28,30)(H,29,31);3*1H