2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid

C16H10ClFN2O2 — CID 94946644

IUPAC2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(F)c2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H10ClFN2O2/c17-13-7-2-1-6-12(13)15-19-14(16(21)22)9-20(15)11-5-3-4-10(18)8-11/h1-9H,(H,21,22)
InChIKeyOHMOVOCWFOSKEX-UHFFFAOYSA-N
MW316.72 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid

2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid (PubChem CID 94946644) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
PubChem CID94946644
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cccc(F)c2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H10ClFN2O2/c17-13-7-2-1-6-12(13)15-19-14(16(21)22)9-20(15)11-5-3-4-10(18)8-11/h1-9H,(H,21,22)
InChIKeyOHMOVOCWFOSKEX-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid (CID 94946644) is 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2cccc(F)c2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is OHMOVOCWFOSKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-13-7-2-1-6-12(13)15-19-14(16(21)22)9-20(15)11-5-3-4-10(18)8-11/h1-9H,(H,21,22).
What are the key properties of 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid?
2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 316.72 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 94946644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).