3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid

C16H10Cl2N2O4 — CID 90873087

IUPAC3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2cc(O)n(-c3cccc(Cl)c3Cl)c2=O)c1
InChIInChI=1S/C16H10Cl2N2O4/c17-11-5-2-6-12(14(11)18)20-13(21)8-19(16(20)24)10-4-1-3-9(7-10)15(22)23/h1-8,21H,(H,22,23)
InChIKeyURRPEHXHGBYWDA-UHFFFAOYSA-N
MW365.17 g/mol
LogP3.34
Rot. Bonds3

About 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid

3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid (PubChem CID 90873087) has the molecular formula C16H10Cl2N2O4 and a molecular weight of 365.17 g/mol. Its IUPAC name is 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid
PubChem CID90873087
Molecular FormulaC16H10Cl2N2O4
Molecular Weight365.17 g/mol
Exact Mass364.00
IUPAC Name3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2cc(O)n(-c3cccc(Cl)c3Cl)c2=O)c1
InChIInChI=1S/C16H10Cl2N2O4/c17-11-5-2-6-12(14(11)18)20-13(21)8-19(16(20)24)10-4-1-3-9(7-10)15(22)23/h1-8,21H,(H,22,23)
InChIKeyURRPEHXHGBYWDA-UHFFFAOYSA-N
XLogP3.34
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-hydroxy-3-(4-iodophenyl)-2-oxoimidazol-1-yl]benzoic acid
CID 91104018
3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid
CID 90848150
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-(2,5-dihydroxypyrrol-1-yl)benzoic acid
CID 91932579
2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 761478
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
3-(2,4-dioxopyrimidin-1-yl)benzoic acid
CID 83487310
3-(2,3-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82488622
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
3-(5-methylimidazol-1-yl)benzoic acid
CID 82512347
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid?
The IUPAC name of 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid (CID 90873087) is 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid is O=C(O)c1cccc(-n2cc(O)n(-c3cccc(Cl)c3Cl)c2=O)c1.
What is the InChIKey of 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid?
The InChIKey is URRPEHXHGBYWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O4/c17-11-5-2-6-12(14(11)18)20-13(21)8-19(16(20)24)10-4-1-3-9(7-10)15(22)23/h1-8,21H,(H,22,23).
What are the key properties of 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid?
3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid has a molecular weight of 365.17 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid is sourced from PubChem (CID 90873087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).