3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid

C12H11ClN2O2 — CID 82480999

IUPAC3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
SMILESCc1cc(Cl)ccc1-n1cnc(C)c1C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-7-5-9(13)3-4-10(7)15-6-14-8(2)11(15)12(16)17/h3-6H,1-2H3,(H,16,17)
InChIKeyPYMHPMWAPUMYQQ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.84
Rot. Bonds2

About 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid

3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid (PubChem CID 82480999) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
PubChem CID82480999
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
SMILESCc1cc(Cl)ccc1-n1cnc(C)c1C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-7-5-9(13)3-4-10(7)15-6-14-8(2)11(15)12(16)17/h3-6H,1-2H3,(H,16,17)
InChIKeyPYMHPMWAPUMYQQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480997
5-chloro-2-(4,5-dimethylimidazol-1-yl)benzoic acid
CID 62352145
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid
CID 82478418
5-amino-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817607
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 116818670
3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
CID 82472525
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 82212271
5-tert-butyl-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652305
1-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61288079
1-(4-chloro-2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652302

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid (CID 82480999) is 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid is Cc1cc(Cl)ccc1-n1cnc(C)c1C(=O)O.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid?
The InChIKey is PYMHPMWAPUMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-5-9(13)3-4-10(7)15-6-14-8(2)11(15)12(16)17/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid?
3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid has a molecular weight of 250.69 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82480999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).