2-butyl-7-methyl-3-[[3-phenyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]benzimidazol-4-ol hydrate

Systemtic Name: 2-butyl-7-methyl-3-[[3-phenyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]benzimidazol-4-ol hydrate Openeye Name: 2-butyl-7-methyl-3-[[3-phenyl-2-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazol-4-ol hydrate CAS Name: 2-butyl-7-methyl-3-[[3-phenyl-2-(2H-tetrazol-5-yl)phenyl]methyl]-4-benzimidazolol hydrate IUPAC Name: 2-butyl-7-methyl-3-[[3-phenyl-2-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazol-4-ol hydrate Traditional Name: 2-butyl-7-methyl-3-[3-phenyl-2-(2H-tetrazol-5-yl)benzyl]benzimidazol-4-ol hydrate Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3C4=NNN=N4)C5=CC=CC=C5)O)C.O

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3C4=NNN=N4)C5=CC=CC=C5)O)C.O

InChI

InChI=1S/C26H26N6O.H2O/c1-3-4-13-22-27-24-17(2)14-15-21(33)25(24)32(22)16-19-11-8-12-20(18-9-6-5-7-10-18)23(19)26-28-30-31-29-26;/h5-12,14-15,33H,3-4,13,16H2,1-2H3,(H,28,29,30,31);1H2