2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid

C18H15FN2O2 — CID 86686613

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid
SMILESCc1cc(-c2cn(CC(=O)O)c(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C18H15FN2O2/c1-12-9-14(7-8-15(12)19)16-10-21(11-17(22)23)18(20-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyLCBHVMRNAXJSAB-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.75
Rot. Bonds4

About 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid

2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid (PubChem CID 86686613) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid
PubChem CID86686613
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid
SMILESCc1cc(-c2cn(CC(=O)O)c(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C18H15FN2O2/c1-12-9-14(7-8-15(12)19)16-10-21(11-17(22)23)18(20-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyLCBHVMRNAXJSAB-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic 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 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid (CID 86686613) is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid is Cc1cc(-c2cn(CC(=O)O)c(-c3ccccc3)n2)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid?
The InChIKey is LCBHVMRNAXJSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-9-14(7-8-15(12)19)16-10-21(11-17(22)23)18(20-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid?
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid has a molecular weight of 310.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetic acid is sourced from PubChem (CID 86686613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).