4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid

C12H7FN2O3 — CID 142499847

IUPAC4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(-n3cnc(F)c3)cccc2o1
InChIInChI=1S/C12H7FN2O3/c13-11-5-15(6-14-11)8-2-1-3-9-7(8)4-10(18-9)12(16)17/h1-6H,(H,16,17)
InChIKeyPJZBTXOOVSBQPT-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.46
Rot. Bonds2

About 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid

4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid (PubChem CID 142499847) has the molecular formula C12H7FN2O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid
PubChem CID142499847
Molecular FormulaC12H7FN2O3
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(-n3cnc(F)c3)cccc2o1
InChIInChI=1S/C12H7FN2O3/c13-11-5-15(6-14-11)8-2-1-3-9-7(8)4-10(18-9)12(16)17/h1-6H,(H,16,17)
InChIKeyPJZBTXOOVSBQPT-UHFFFAOYSA-N
XLogP2.46
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-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 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid (CID 142499847) is 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2c(-n3cnc(F)c3)cccc2o1.
What is the InChIKey of 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
The InChIKey is PJZBTXOOVSBQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3/c13-11-5-15(6-14-11)8-2-1-3-9-7(8)4-10(18-9)12(16)17/h1-6H,(H,16,17).
What are the key properties of 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid?
4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid has a molecular weight of 246.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 142499847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).