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

C15H11F3N2O2S2 — CID 10156111

IUPAC4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H11F3N2O2S2/c1-24(21,22)10-6-4-9(5-7-10)12-13(11-3-2-8-23-11)20-14(19-12)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyUUVBGFWWLRWVAV-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.23
Rot. Bonds3

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

4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 10156111) has the molecular formula C15H11F3N2O2S2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole
PubChem CID10156111
Molecular FormulaC15H11F3N2O2S2
Molecular Weight372.39 g/mol
Exact Mass372.02
IUPAC Name4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H11F3N2O2S2/c1-24(21,22)10-6-4-9(5-7-10)12-13(11-3-2-8-23-11)20-14(19-12)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyUUVBGFWWLRWVAV-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole (CID 10156111) is 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cccs2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is UUVBGFWWLRWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S2/c1-24(21,22)10-6-4-9(5-7-10)12-13(11-3-2-8-23-11)20-14(19-12)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole?
4-(4-methylsulfonylphenyl)-5-thiophen-2-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 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 10156111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).