1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid

C10H4F4N2O2 — CID 107645974

IUPAC1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2c(F)c(F)cc(F)c2F)cn1
InChIInChI=1S/C10H4F4N2O2/c11-4-1-5(12)8(14)9(7(4)13)16-2-6(10(17)18)15-3-16/h1-3H,(H,17,18)
InChIKeyXQPCYXYBDSCTBF-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.13
Rot. Bonds2

About 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid

1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid (PubChem CID 107645974) has the molecular formula C10H4F4N2O2 and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid
PubChem CID107645974
Molecular FormulaC10H4F4N2O2
Molecular Weight260.15 g/mol
Exact Mass260.02
IUPAC Name1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2c(F)c(F)cc(F)c2F)cn1
InChIInChI=1S/C10H4F4N2O2/c11-4-1-5(12)8(14)9(7(4)13)16-2-6(10(17)18)15-3-16/h1-3H,(H,17,18)
InChIKeyXQPCYXYBDSCTBF-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid (CID 107645974) is 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2c(F)c(F)cc(F)c2F)cn1.
What is the InChIKey of 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is XQPCYXYBDSCTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N2O2/c11-4-1-5(12)8(14)9(7(4)13)16-2-6(10(17)18)15-3-16/h1-3H,(H,17,18).
What are the key properties of 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid?
1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 260.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 107645974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).