3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid

C10H7ClN2O3 — CID 103124385

IUPAC3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc[nH]c2=O)c(Cl)c1
InChIInChI=1S/C10H7ClN2O3/c11-7-5-6(9(14)15)1-2-8(7)13-4-3-12-10(13)16/h1-5H,(H,12,16)(H,14,15)
InChIKeyZKPHRSICUVEHPH-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.52
Rot. Bonds2

About 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid

3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid (PubChem CID 103124385) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid
PubChem CID103124385
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc[nH]c2=O)c(Cl)c1
InChIInChI=1S/C10H7ClN2O3/c11-7-5-6(9(14)15)1-2-8(7)13-4-3-12-10(13)16/h1-5H,(H,12,16)(H,14,15)
InChIKeyZKPHRSICUVEHPH-UHFFFAOYSA-N
XLogP1.52
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid
CID 103124436
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
3-chloro-4-(2,5-dihydropyrrol-1-yl)benzoic acid
CID 64683147
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one
CID 103125217
3-chloro-4-(3,3-dimethylazetidin-1-yl)benzoic acid
CID 79694163
3-chloro-4-iodobenzoic acid
CID 18953341
3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one
CID 84662478
1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
1-(2-chloro-4-methylphenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077056
3-amino-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzoic acid
CID 84696484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid?
The IUPAC name of 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid (CID 103124385) is 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid?
The canonical SMILES for 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid is O=C(O)c1ccc(-n2cc[nH]c2=O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid?
The InChIKey is ZKPHRSICUVEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-7-5-6(9(14)15)1-2-8(7)13-4-3-12-10(13)16/h1-5H,(H,12,16)(H,14,15).
What are the key properties of 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid?
3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid has a molecular weight of 238.63 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-oxo-1H-imidazol-3-yl)benzoic acid is sourced from PubChem (CID 103124385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).