3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid

C14H10N2O3 — CID 82513951

IUPAC3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C14H10N2O3/c17-13(18)9-4-3-5-10(8-9)16-12-7-2-1-6-11(12)15-14(16)19/h1-8H,(H,15,19)(H,17,18)
InChIKeyPFWDGHPQMZVVFB-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.02
Rot. Bonds2

About 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid

3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid (PubChem CID 82513951) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
PubChem CID82513951
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C14H10N2O3/c17-13(18)9-4-3-5-10(8-9)16-12-7-2-1-6-11(12)15-14(16)19/h1-8H,(H,15,19)(H,17,18)
InChIKeyPFWDGHPQMZVVFB-UHFFFAOYSA-N
XLogP2.02
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 70143818
3-(3-chlorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 16774187
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
CID 151138139
lithium 3-(3-carboxyphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 70545414
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82514443
3-(2,3-dichlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770469
3-(2,4-dioxopyrimidin-1-yl)benzoic acid
CID 83487310
3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
CID 91932579
3-[5-(3-aminopropyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]benzoic acid
CID 54268070

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
The IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid (CID 82513951) is 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
The canonical SMILES for 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid is O=C(O)c1cccc(-n2c(=O)[nH]c3ccccc32)c1.
What is the InChIKey of 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
The InChIKey is PFWDGHPQMZVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13(18)9-4-3-5-10(8-9)16-12-7-2-1-6-11(12)15-14(16)19/h1-8H,(H,15,19)(H,17,18).
What are the key properties of 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid?
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid has a molecular weight of 254.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid is sourced from PubChem (CID 82513951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).