3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid

C14H10N2O3 — CID 10083635

IUPAC3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C14H10N2O3/c17-14(18)10-6-7-11-12(8-10)16(19)13(15-11)9-4-2-1-3-5-9/h1-8,19H,(H,17,18)
InChIKeyOJYHOPPBUYEFNF-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.64
Rot. Bonds2

About 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid

3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid (PubChem CID 10083635) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
PubChem CID10083635
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C14H10N2O3/c17-14(18)10-6-7-11-12(8-10)16(19)13(15-11)9-4-2-1-3-5-9/h1-8,19H,(H,17,18)
InChIKeyOJYHOPPBUYEFNF-UHFFFAOYSA-N
XLogP2.64
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethanone
CID 10444910
1-hydroxy-2-phenylbenzimidazole
CID 606555
2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 11683111
2-[4-[3-(4-fluorophenyl)prop-2-enoylamino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 67068824
1-(3-methoxy-2-phenylbenzimidazol-5-yl)ethanone
CID 124908293
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole
CID 124908622
1-chloro-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83870930
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
CID 57424060

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid (CID 10083635) is 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)n(O)c2c1.
What is the InChIKey of 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid?
The InChIKey is OJYHOPPBUYEFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(18)10-6-7-11-12(8-10)16(19)13(15-11)9-4-2-1-3-5-9/h1-8,19H,(H,17,18).
What are the key properties of 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid?
3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 10083635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).