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

C22H14F2N2O2 — CID 155666200

IUPAC4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C22H14F2N2O2/c23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyVNKQQFUUWLLPFG-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.39
Rot. Bonds4

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

4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid (PubChem CID 155666200) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
PubChem CID155666200
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Name4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C22H14F2N2O2/c23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyVNKQQFUUWLLPFG-UHFFFAOYSA-N
XLogP5.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Analyze 4-[4,5-bis(4-fluorophenyl)-1H-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

Related Compounds

4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone
CID 22310518
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-(4-nitrophenyl)-1H-imidazol-4-yl]phenoxy]phenyl]-5-(4-nitrophenyl)-1H-imidazol-2-yl]benzoic acid
CID 11980146
4-[4-[4-[4-[2-(4-carboxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-5-(4-nitrophenyl)-1H-imidazol-2-yl]benzoic acid
CID 135645773
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid
CID 70249057
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
CID 2259189

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid (CID 155666200) is 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
The InChIKey is VNKQQFUUWLLPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-17-9-5-13(6-10-17)19-20(14-7-11-18(24)12-8-14)26-21(25-19)15-1-3-16(4-2-15)22(27)28/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid?
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid has a molecular weight of 376.36 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid is sourced from PubChem (CID 155666200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).