2-(2-imidazol-1-ylethyl)-1-phenyl-benzimidazole hydrate

Systemtic Name: 2-(2-imidazol-1-ylethyl)-1-phenyl-benzimidazole hydrate Openeye Name: 2-(2-imidazol-1-ylethyl)-1-phenyl-benzimidazole hydrate CAS Name: 2-[2-(1-imidazolyl)ethyl]-1-phenylbenzimidazole hydrate IUPAC Name: 2-(2-imidazol-1-ylethyl)-1-phenylbenzimidazole hydrate Traditional Name: 2-(2-imidazol-1-ylethyl)-1-phenyl-benzimidazole hydrate Formula: C18H18N4O MolecularWeight: 306.36172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCN4C=CN=C4.O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCN4C=CN=C4.O

InChI

InChI=1S/C18H16N4.H2O/c1-2-6-15(7-3-1)22-17-9-5-4-8-16(17)20-18(22)10-12-21-13-11-19-14-21;/h1-9,11,13-14H,10,12H2;1H2