5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole

C15H11F3N2O2S2 — CID 18463790

IUPAC5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccsc2)cc1
InChIInChI=1S/C15H11F3N2O2S2/c1-24(21,22)11-4-2-9(3-5-11)12-13(10-6-7-23-8-10)20-14(19-12)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeySFWUIPYCGOKQGU-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.23
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole

5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463790) has the molecular formula C15H11F3N2O2S2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463790
Molecular FormulaC15H11F3N2O2S2
Molecular Weight372.39 g/mol
Exact Mass372.02
IUPAC Name5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccsc2)cc1
InChIInChI=1S/C15H11F3N2O2S2/c1-24(21,22)11-4-2-9(3-5-11)12-13(10-6-7-23-8-10)20-14(19-12)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeySFWUIPYCGOKQGU-UHFFFAOYSA-N
XLogP4.23
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diphenyl-2-(2-thienyl)-1H-imidazole
CID 767504
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-trifluoromethyl-1H-imidazole
CID 9843038
4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 10453646
4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463558
5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463565
5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole
CID 18463578
5-(3-Methylphenyl)-4-[4-(methylsulfonyl)phenyl]-2-(trifluoromethyl)-1H-imidazole
CID 18463582
4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463638
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463775
4,5-bis(4-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazole
CID 921225
4-fluoro-N-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 44343050

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole (CID 18463790) is 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccsc2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is SFWUIPYCGOKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S2/c1-24(21,22)11-4-2-9(3-5-11)12-13(10-6-7-23-8-10)20-14(19-12)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole?
5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 372.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-4-thiophen-3-yl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).