5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid

C12H11FN2O3 — CID 113281443

IUPAC5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCCn1ccnc1
InChIInChI=1S/C12H11FN2O3/c13-9-1-2-11(10(7-9)12(16)17)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyCGHYTHAYHLJJRH-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.80
Rot. Bonds5

About 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid

5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid (PubChem CID 113281443) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
PubChem CID113281443
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCCn1ccnc1
InChIInChI=1S/C12H11FN2O3/c13-9-1-2-11(10(7-9)12(16)17)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyCGHYTHAYHLJJRH-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
CID 104651233
5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
CID 113281429
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
3-fluoro-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 107689821
5-fluoro-2-[(1-methylimidazol-2-yl)methoxy]benzoic acid
CID 71741821
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-fluoro-2-[2-(4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 115297843
5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
CID 115298212
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid?
The IUPAC name of 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid (CID 113281443) is 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid is O=C(O)c1cc(F)ccc1OCCn1ccnc1.
What is the InChIKey of 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid?
The InChIKey is CGHYTHAYHLJJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-9-1-2-11(10(7-9)12(16)17)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid?
5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid has a molecular weight of 250.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid is sourced from PubChem (CID 113281443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).