2-[5-[(2-ethyl-4,6-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)methyl]-2-phenyl-benzimidazol-1-yl]ethanoic acid trihydrate

Systemtic Name: 2-[5-[(2-ethyl-4,6-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)methyl]-2-phenyl-benzimidazol-1-yl]ethanoic acid trihydrate Openeye Name: 2-[5-[(2-ethyl-4,6-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)methyl]-2-phenyl-benzimidazol-1-yl]acetic acid trihydrate CAS Name: 2-[5-[(2-ethyl-4,6-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)methyl]-2-phenyl-1-benzimidazolyl]acetic acid trihydrate IUPAC Name: 2-[5-[(2-ethyl-4,6-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)methyl]-2-phenylbenzimidazol-1-yl]acetic acid trihydrate Traditional Name: 2-[5-[(2-ethyl-4,6-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)methyl]-2-phenyl-benzimidazol-1-yl]acetic acid trihydrate Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N=C2C(=CC(=CN2C)C)N1CC3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=C5)CC(=O)O.O.O.O

Isomeric SMILES

CCC1N=C2C(=CC(=CN2C)C)N1CC3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=C5)CC(=O)O.O.O.O

InChI

InChI=1S/C26H27N5O2.3H2O/c1-4-23-28-26-22(12-17(2)14-29(26)3)30(23)15-18-10-11-21-20(13-18)27-25(31(21)16-24(32)33)19-8-6-5-7-9-19;;;/h5-14,23H,4,15-16H2,1-3H3,(H,32,33);3*1H2