1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid

C10H6ClFN2O2 — CID 23445147

IUPAC1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C10H6ClFN2O2/c11-6-1-2-9(7(12)3-6)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeySTDATYKMCLUQSY-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.36
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid

1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid (PubChem CID 23445147) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid
PubChem CID23445147
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C10H6ClFN2O2/c11-6-1-2-9(7(12)3-6)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeySTDATYKMCLUQSY-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid (CID 23445147) is 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is STDATYKMCLUQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-6-1-2-9(7(12)3-6)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16).
What are the key properties of 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid?
1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 240.62 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 23445147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).