2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid

C11H8ClFN2O2 — CID 62532949

IUPAC2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2ccc(F)c(Cl)c2)nc1C(=O)O
InChIInChI=1S/C11H8ClFN2O2/c1-5-9(11(16)17)15-10(14-5)6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyBNHZSSAMYFXKJD-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid

2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid (PubChem CID 62532949) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
PubChem CID62532949
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2ccc(F)c(Cl)c2)nc1C(=O)O
InChIInChI=1S/C11H8ClFN2O2/c1-5-9(11(16)17)15-10(14-5)6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyBNHZSSAMYFXKJD-UHFFFAOYSA-N
XLogP2.88
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62533448
tert-butyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62533291
methyl 2-(3,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 54965673
2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 6622478
5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid
CID 84610421
5-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxylic acid
CID 83648852
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 82373683
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid
CID 82481564
3-chloro-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 141310101
2-[4-(2,5-difluorophenoxy)-3-(tetrazol-1-yl)phenyl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 139312267
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
CID 174651933

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid (CID 62532949) is 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid is Cc1[nH]c(-c2ccc(F)c(Cl)c2)nc1C(=O)O.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The InChIKey is BNHZSSAMYFXKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-5-9(11(16)17)15-10(14-5)6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid has a molecular weight of 254.65 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 62532949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).