1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone

C25H19F3N2O3S — CID 59251337

IUPAC1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H19F3N2O3S/c1-16(31)23-15-30(24(29-23)21-8-3-4-9-22(21)25(26,27)28)19-12-10-17(11-13-19)18-6-5-7-20(14-18)34(2,32)33/h3-15H,1-2H3
InChIKeyJPZRUOAKMALWPO-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.83
Rot. Bonds5

About 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone

1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone (PubChem CID 59251337) has the molecular formula C25H19F3N2O3S and a molecular weight of 484.50 g/mol. Its IUPAC name is 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone
PubChem CID59251337
Molecular FormulaC25H19F3N2O3S
Molecular Weight484.50 g/mol
Exact Mass484.11
IUPAC Name1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H19F3N2O3S/c1-16(31)23-15-30(24(29-23)21-8-3-4-9-22(21)25(26,27)28)19-12-10-17(11-13-19)18-6-5-7-20(14-18)34(2,32)33/h3-15H,1-2H3
InChIKeyJPZRUOAKMALWPO-UHFFFAOYSA-N
XLogP5.83
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methanesulfonyl-phenyl)-2-o-tolyl-4-trifluoromethyl-1H-imidazole
CID 10452350
1-[4-(Methylsulfonyl)phenyl]-2-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1H-imidazole
CID 10501652
2-(3,4-Dimethyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10810622
2-(2-Chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
CID 59251295
2-[1-[4-(3-Methylsulfonylphenyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-2-ol
CID 59251456
[1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazol-2-yl]-phenyl-methanone
CID 11058879
[3-(Benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
CID 52946731
2-(5-Fluoro-2-methyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10810863
[5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazol-2-yl]-phenyl-methanone
CID 11825947
[3-(Benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
CID 52943097
1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 15947395
2-(2,6-dichlorophenyl)-N-(2-fluoroethyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole-4-carboxamide
CID 15947396

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone?
The IUPAC name of 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone (CID 59251337) is 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone is CC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone?
The InChIKey is JPZRUOAKMALWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3S/c1-16(31)23-15-30(24(29-23)21-8-3-4-9-22(21)25(26,27)28)19-12-10-17(11-13-19)18-6-5-7-20(14-18)34(2,32)33/h3-15H,1-2H3.
What are the key properties of 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone?
1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone has a molecular weight of 484.50 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]ethanone is sourced from PubChem (CID 59251337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).