4-methyl-6-(1-methylbenzimidazol-2-yl)-1-(2-methyl-1H-benzimidazol-4-yl)-2-propyl-benzimidazole trihydrate

Systemtic Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-(2-methyl-1H-benzimidazol-4-yl)-2-propyl-benzimidazole trihydrate Openeye Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-(2-methyl-1H-benzimidazol-4-yl)-2-propyl-benzimidazole trihydrate CAS Name: 4-methyl-6-(1-methyl-2-benzimidazolyl)-1-(2-methyl-1H-benzimidazol-4-yl)-2-propylbenzimidazole trihydrate IUPAC Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-(2-methyl-1H-benzimidazol-4-yl)-2-propylbenzimidazole trihydrate Traditional Name: 4-methyl-6-(1-methylbenzimidazol-2-yl)-1-(2-methyl-1H-benzimidazol-4-yl)-2-propyl-benzimidazole trihydrate Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=CC=CC4=C3N=C(N4)C)C5=NC6=CC=CC=C6N5C)C.O.O.O

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=CC=CC4=C3N=C(N4)C)C5=NC6=CC=CC=C6N5C)C.O.O.O

InChI

InChI=1S/C27H26N6.3H2O/c1-5-9-24-31-25-16(2)14-18(27-30-19-10-6-7-12-21(19)32(27)4)15-23(25)33(24)22-13-8-11-20-26(22)29-17(3)28-20;;;/h6-8,10-15H,5,9H2,1-4H3,(H,28,29);3*1H2