4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole

C22H15F3N2O — CID 134101740

IUPAC4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)28-18-13-11-17(12-14-18)21-26-19(15-7-3-1-4-8-15)20(27-21)16-9-5-2-6-10-16/h1-14H,(H,26,27)
InChIKeyVXCJOCGTYRBOSE-UHFFFAOYSA-N
MW380.37 g/mol
LogP6.31
Rot. Bonds4

About 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole

4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 134101740) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID134101740
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)28-18-13-11-17(12-14-18)21-26-19(15-7-3-1-4-8-15)20(27-21)16-9-5-2-6-10-16/h1-14H,(H,26,27)
InChIKeyVXCJOCGTYRBOSE-UHFFFAOYSA-N
XLogP6.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole 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 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole (CID 134101740) is 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole is FC(F)(F)Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is VXCJOCGTYRBOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c23-22(24,25)28-18-13-11-17(12-14-18)21-26-19(15-7-3-1-4-8-15)20(27-21)16-9-5-2-6-10-16/h1-14H,(H,26,27).
What are the key properties of 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 380.37 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 134101740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).