4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid

C11H9ClN2O2 — CID 105498309

IUPAC4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)nc1-c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-6-9(14-10(13-6)11(15)16)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyDNRKWVNIMLGPTM-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.74
Rot. Bonds2

About 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid

4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid (PubChem CID 105498309) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
PubChem CID105498309
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)nc1-c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-6-9(14-10(13-6)11(15)16)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyDNRKWVNIMLGPTM-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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Related Compounds

4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide
CID 155116290
3-(2-chlorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106515481
5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
CID 156842574
4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 50877116
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
5-(2-chlorophenyl)-3-methyltriazole-4-carboxylic acid
CID 105499694
4,5-dimethyl-1H-imidazole-2-carboxylic acid
CID 14474276
2-(bromomethyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 141320592
methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 86660450
2-(2-chlorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28868511
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid (CID 105498309) is 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid is Cc1[nH]c(C(=O)O)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid?
The InChIKey is DNRKWVNIMLGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-6-9(14-10(13-6)11(15)16)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid?
4-(2-chlorophenyl)-5-methyl-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 4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 105498309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).