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

C24H18F2N2O3 — CID 70299177

IUPAC2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cc(OCC(c2ccc(F)cc2)c2ncc[nH]2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C24H18F2N2O3/c25-17-5-1-15(2-6-17)20-10-9-19(13-21(20)24(29)30)31-14-22(23-27-11-12-28-23)16-3-7-18(26)8-4-16/h1-13,22H,14H2,(H,27,28)(H,29,30)
InChIKeyDXRIANARTOTSAR-UHFFFAOYSA-N
MW420.42 g/mol
LogP5.26
Rot. Bonds7

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

2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid (PubChem CID 70299177) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid
PubChem CID70299177
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cc(OCC(c2ccc(F)cc2)c2ncc[nH]2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C24H18F2N2O3/c25-17-5-1-15(2-6-17)20-10-9-19(13-21(20)24(29)30)31-14-22(23-27-11-12-28-23)16-3-7-18(26)8-4-16/h1-13,22H,14H2,(H,27,28)(H,29,30)
InChIKeyDXRIANARTOTSAR-UHFFFAOYSA-N
XLogP5.26
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]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 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid (CID 70299177) is 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid is O=C(O)c1cc(OCC(c2ccc(F)cc2)c2ncc[nH]2)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
The InChIKey is DXRIANARTOTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c25-17-5-1-15(2-6-17)20-10-9-19(13-21(20)24(29)30)31-14-22(23-27-11-12-28-23)16-3-7-18(26)8-4-16/h1-13,22H,14H2,(H,27,28)(H,29,30).
What are the key properties of 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid has a molecular weight of 420.42 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)-2-(1H-imidazol-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 70299177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).