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

C10H6ClFN2O2 — CID 53416281

IUPAC2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C10H6ClFN2O2/c11-5-1-2-6(7(12)3-5)9-13-4-8(14-9)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyAFKRANVWROEMHV-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.57
Rot. Bonds2

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

2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 53416281) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid
PubChem CID53416281
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C10H6ClFN2O2/c11-5-1-2-6(7(12)3-5)9-13-4-8(14-9)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyAFKRANVWROEMHV-UHFFFAOYSA-N
XLogP2.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid (CID 53416281) is 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(Cl)cc2F)[nH]1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is AFKRANVWROEMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-5-1-2-6(7(12)3-5)9-13-4-8(14-9)10(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid?
2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 240.62 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 53416281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).