3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid

C24H19FN2O2 — CID 71017703

IUPAC3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid
SMILESCc1ccccc1-c1ccc(C2=NC(c3ccc(C(=O)O)cc3F)=NC2)cc1C
InChIInChI=1S/C24H19FN2O2/c1-14-5-3-4-6-18(14)19-9-7-16(11-15(19)2)22-13-26-23(27-22)20-10-8-17(24(28)29)12-21(20)25/h3-12H,13H2,1-2H3,(H,28,29)
InChIKeyHFGRFBRZWSVOGB-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.06
Rot. Bonds4

About 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid

3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid (PubChem CID 71017703) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid
PubChem CID71017703
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid
SMILESCc1ccccc1-c1ccc(C2=NC(c3ccc(C(=O)O)cc3F)=NC2)cc1C
InChIInChI=1S/C24H19FN2O2/c1-14-5-3-4-6-18(14)19-9-7-16(11-15(19)2)22-13-26-23(27-22)20-10-8-17(24(28)29)12-21(20)25/h3-12H,13H2,1-2H3,(H,28,29)
InChIKeyHFGRFBRZWSVOGB-UHFFFAOYSA-N
XLogP5.06
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid?
The IUPAC name of 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid (CID 71017703) is 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid is Cc1ccccc1-c1ccc(C2=NC(c3ccc(C(=O)O)cc3F)=NC2)cc1C.
What is the InChIKey of 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid?
The InChIKey is HFGRFBRZWSVOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-14-5-3-4-6-18(14)19-9-7-16(11-15(19)2)22-13-26-23(27-22)20-10-8-17(24(28)29)12-21(20)25/h3-12H,13H2,1-2H3,(H,28,29).
What are the key properties of 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid?
3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid has a molecular weight of 386.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-[3-methyl-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 71017703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).