5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole

C23H16F4N2O2S — CID 142636183

IUPAC5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16F4N2O2S/c1-32(30,31)19-11-7-15(8-12-19)21-20(14-5-9-18(24)10-6-14)28-22(29-21)16-3-2-4-17(13-16)23(25,26)27/h2-13H,1H3,(H,28,29)
InChIKeyTVPLSKVWSRUCFV-UHFFFAOYSA-N
MW460.45 g/mol
LogP5.97
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 142636183) has the molecular formula C23H16F4N2O2S and a molecular weight of 460.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID142636183
Molecular FormulaC23H16F4N2O2S
Molecular Weight460.45 g/mol
Exact Mass460.09
IUPAC Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16F4N2O2S/c1-32(30,31)19-11-7-15(8-12-19)21-20(14-5-9-18(24)10-6-14)28-22(29-21)16-3-2-4-17(13-16)23(25,26)27/h2-13H,1H3,(H,28,29)
InChIKeyTVPLSKVWSRUCFV-UHFFFAOYSA-N
XLogP5.97
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.45
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole
CID 67695801
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 24960492
2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole
CID 18463750
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 153289392
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676
2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
CID 18463533
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole
CID 18463608
5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole
CID 142406867

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole (CID 142636183) is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is TVPLSKVWSRUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2S/c1-32(30,31)19-11-7-15(8-12-19)21-20(14-5-9-18(24)10-6-14)28-22(29-21)16-3-2-4-17(13-16)23(25,26)27/h2-13H,1H3,(H,28,29).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole?
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 460.45 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 142636183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).