Molecule ID: 10047287

IUPAC Name: 2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-benzimidazole-4-carboxylic acid

Description: The molecule is a benzimidazolecarboxylic acid that is candesartan in which the ethoxy group has been replaced by a hydroxy group. It is the inactive metabolite of the anti-hypertensive drug, candesartan. It has a role as a drug metabolite, a human urinary metabolite and a human blood serum metabolite. It is a benzimidazolecarboxylic acid and a biphenylyltetrazole.

SMILES: O=C(O)c1cccc2nc(O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c12

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][N][=Ring2][Ring1][Branch2]

InChI: InChI=1S/C22H16N6O3/c29-21(30)17-6-3-7-18-19(17)28(22(31)23-18)12-13-8-10-14(11-9-13)15-4-1-2-5-16(15)20-24-26-27-25-20/h1-11H,12H2,(H,23,31)(H,29,30)(H,24,25,26,27)

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: 2.6