3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid

C14H15FN2O2 — CID 98017221

IUPAC3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(CCc2ccccc2F)cn1
InChIInChI=1S/C14H15FN2O2/c15-13-4-2-1-3-11(13)7-8-17-9-12(16-10-17)5-6-14(18)19/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyVPSVFJLSZRVPFT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.28
Rot. Bonds6

About 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid

3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid (PubChem CID 98017221) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
PubChem CID98017221
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(CCc2ccccc2F)cn1
InChIInChI=1S/C14H15FN2O2/c15-13-4-2-1-3-11(13)7-8-17-9-12(16-10-17)5-6-14(18)19/h1-4,9-10H,5-8H2,(H,18,19)
InChIKeyVPSVFJLSZRVPFT-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)propanoic acid
CID 2063866
3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 98014080
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid
CID 142676545
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
CID 155366804
2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
CID 82476422
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
4-(1-ethylimidazol-4-yl)butanoic acid
CID 83876061
1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid (CID 98017221) is 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid is O=C(O)CCc1cn(CCc2ccccc2F)cn1.
What is the InChIKey of 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid?
The InChIKey is VPSVFJLSZRVPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-13-4-2-1-3-11(13)7-8-17-9-12(16-10-17)5-6-14(18)19/h1-4,9-10H,5-8H2,(H,18,19).
What are the key properties of 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid?
3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid is sourced from PubChem (CID 98017221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).