3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid

C17H14FN3O2 — CID 67015142

IUPAC3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-13(2-4-14)17-16(12-5-8-19-9-6-12)20-11-21(17)10-7-15(22)23/h1-6,8-9,11H,7,10H2,(H,22,23)
InChIKeyMPVSWCVPXXTWOC-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.23
Rot. Bonds5

About 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid

3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid (PubChem CID 67015142) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
PubChem CID67015142
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-13(2-4-14)17-16(12-5-8-19-9-6-12)20-11-21(17)10-7-15(22)23/h1-6,8-9,11H,7,10H2,(H,22,23)
InChIKeyMPVSWCVPXXTWOC-UHFFFAOYSA-N
XLogP3.23
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid (CID 67015142) is 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid is O=C(O)CCn1cnc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid?
The InChIKey is MPVSWCVPXXTWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-3-1-13(2-4-14)17-16(12-5-8-19-9-6-12)20-11-21(17)10-7-15(22)23/h1-6,8-9,11H,7,10H2,(H,22,23).
What are the key properties of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid?
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid has a molecular weight of 311.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid is sourced from PubChem (CID 67015142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).