3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid

C17H14N2O4 — CID 90848150

IUPAC3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid
SMILESCc1ccc(-n2cc(O)n(-c3cccc(C(=O)O)c3)c2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-11-5-7-13(8-6-11)18-10-15(20)19(17(18)23)14-4-2-3-12(9-14)16(21)22/h2-10,20H,1H3,(H,21,22)
InChIKeyAQMOTGDYMKMDEQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.34
Rot. Bonds3

About 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid

3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid (PubChem CID 90848150) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid
PubChem CID90848150
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid
SMILESCc1ccc(-n2cc(O)n(-c3cccc(C(=O)O)c3)c2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-11-5-7-13(8-6-11)18-10-15(20)19(17(18)23)14-4-2-3-12(9-14)16(21)22/h2-10,20H,1H3,(H,21,22)
InChIKeyAQMOTGDYMKMDEQ-UHFFFAOYSA-N
XLogP2.34
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.34
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-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid
CID 90873087
3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
CID 91932579
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
3-[4-(4-methylphenyl)pyrazol-1-yl]benzoic acid
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3-(5-methylimidazol-1-yl)benzoic acid
CID 82512347
3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid
CID 57264705
3-methylbenzoic acid
CID 7418
5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 53436945
3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54097224
3-[3-(4-methylphenoxy)propoxy]benzoic acid
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3-(4-methylimidazol-1-yl)benzoic acid
CID 82512349

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid?
The IUPAC name of 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid (CID 90848150) is 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid.
What is the SMILES notation for 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid?
The canonical SMILES for 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid is Cc1ccc(-n2cc(O)n(-c3cccc(C(=O)O)c3)c2=O)cc1.
What is the InChIKey of 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid?
The InChIKey is AQMOTGDYMKMDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-11-5-7-13(8-6-11)18-10-15(20)19(17(18)23)14-4-2-3-12(9-14)16(21)22/h2-10,20H,1H3,(H,21,22).
What are the key properties of 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid?
3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid is sourced from PubChem (CID 90848150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).