3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid

C10H6Cl2N2O3 — CID 82488622

IUPAC3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O3/c11-5-2-1-3-6(8(5)12)14-7(9(15)16)4-13-10(14)17/h1-4H,(H,13,17)(H,15,16)
InChIKeyIXPIUYIMAGTLJY-UHFFFAOYSA-N
MW273.07 g/mol
LogP2.17
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid

3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82488622) has the molecular formula C10H6Cl2N2O3 and a molecular weight of 273.07 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82488622
Molecular FormulaC10H6Cl2N2O3
Molecular Weight273.07 g/mol
Exact Mass271.98
IUPAC Name3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O3/c11-5-2-1-3-6(8(5)12)14-7(9(15)16)4-13-10(14)17/h1-4H,(H,13,17)(H,15,16)
InChIKeyIXPIUYIMAGTLJY-UHFFFAOYSA-N
XLogP2.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82472009
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
3-(2,3-dichlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770469
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione
CID 81339321
3-(2,5-dimethoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82486235
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid
CID 90873087
1-(2,3-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16778003
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 71778343
N-iodo-2-oxo-3-phenyl-1H-imidazole-4-carboxamide
CID 142157764
1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one
CID 68817643

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82488622) is 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid is O=C(O)c1c[nH]c(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is IXPIUYIMAGTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O3/c11-5-2-1-3-6(8(5)12)14-7(9(15)16)4-13-10(14)17/h1-4H,(H,13,17)(H,15,16).
What are the key properties of 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid?
3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 273.07 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82488622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).