5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid

C11H9ClN2O2 — CID 76965485

IUPAC5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)[nH]c2Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c1-6-2-4-7(5-3-6)8-9(12)14-10(13-8)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyGERHFBATOJZCQY-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.74
Rot. Bonds2

About 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid

5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid (PubChem CID 76965485) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid
PubChem CID76965485
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)[nH]c2Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c1-6-2-4-7(5-3-6)8-9(12)14-10(13-8)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyGERHFBATOJZCQY-UHFFFAOYSA-N
XLogP2.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid (CID 76965485) is 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)[nH]c2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is GERHFBATOJZCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-6-2-4-7(5-3-6)8-9(12)14-10(13-8)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid?
5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid has a molecular weight of 236.66 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 76965485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).