2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid

C13H13FN2O2 — CID 116882765

IUPAC2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-2-10(13(17)18)12-15-7-11(16-12)8-3-5-9(14)6-4-8/h3-7,10H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyDLFDOAFAUBQCET-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.79
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid

2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid (PubChem CID 116882765) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
PubChem CID116882765
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-2-10(13(17)18)12-15-7-11(16-12)8-3-5-9(14)6-4-8/h3-7,10H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyDLFDOAFAUBQCET-UHFFFAOYSA-N
XLogP2.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic 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

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882782
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544451
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116878737
methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
CID 116880248
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
tert-butyl 3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-iminopentanoate
CID 174671208
cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 67214295
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid (CID 116882765) is 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid is CCC(C(=O)O)c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid?
The InChIKey is DLFDOAFAUBQCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-10(13(17)18)12-15-7-11(16-12)8-3-5-9(14)6-4-8/h3-7,10H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid?
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid has a molecular weight of 248.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid is sourced from PubChem (CID 116882765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).