4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propyl-benzimidazole trihydrate

Systemtic Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propyl-benzimidazole trihydrate Openeye Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-3-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propyl-benzimidazole trihydrate CAS Name: 4-methyl-6-(1-methyl-2-benzimidazolyl)-1-[[2-phenyl-3-(2H-tetrazol-5-ylmethyl)-5-benzimidazolyl]methyl]-2-propylbenzimidazole trihydrate IUPAC Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-3-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propylbenzimidazole trihydrate Traditional Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-3-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propyl-benzimidazole trihydrate Formula: C35H38N10O3 MolecularWeight: 646.74142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC4=C(C=C3)N=C(N4CC5=NNN=N5)C6=CC=CC=C6)C7=NC8=CC=CC=C8N7C)C.O.O.O

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC4=C(C=C3)N=C(N4CC5=NNN=N5)C6=CC=CC=C6)C7=NC8=CC=CC=C8N7C)C.O.O.O

InChI

InChI=1S/C35H32N10.3H2O/c1-4-10-32-38-33-22(2)17-25(34-36-26-13-8-9-14-28(26)43(34)3)19-30(33)44(32)20-23-15-16-27-29(18-23)45(21-31-39-41-42-40-31)35(37-27)24-11-6-5-7-12-24;;;/h5-9,11-19H,4,10,20-21H2,1-3H3,(H,39,40,41,42);3*1H2