6-(imidazol-1-ylmethyl)-1-oxidanyl-2-phenyl-benzimidazole hydrate

Systemtic Name: 6-(imidazol-1-ylmethyl)-1-oxidanyl-2-phenyl-benzimidazole hydrate Openeye Name: 1-hydroxy-6-(imidazol-1-ylmethyl)-2-phenyl-benzimidazole hydrate CAS Name: 1-hydroxy-6-(1-imidazolylmethyl)-2-phenylbenzimidazole hydrate IUPAC Name: 1-hydroxy-6-(imidazol-1-ylmethyl)-2-phenylbenzimidazole hydrate Traditional Name: 1-hydroxy-6-(imidazol-1-ylmethyl)-2-phenyl-benzimidazole hydrate Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2O)C=C(C=C3)CN4C=CN=C4.O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2O)C=C(C=C3)CN4C=CN=C4.O

InChI

InChI=1S/C17H14N4O.H2O/c22-21-16-10-13(11-20-9-8-18-12-20)6-7-15(16)19-17(21)14-4-2-1-3-5-14;/h1-10,12,22H,11H2;1H2