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

C15H11F3N2O2S2 — CID 11793632

IUPAC1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1
InChIInChI=1S/C15H11F3N2O2S2/c1-24(21,22)11-6-4-10(5-7-11)20-9-13(15(16,17)18)19-14(20)12-3-2-8-23-12/h2-9H,1H3
InChIKeyHSTMHTOCYJEAHE-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.02
Rot. Bonds3

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

1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 11793632) has the molecular formula C15H11F3N2O2S2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole
PubChem CID11793632
Molecular FormulaC15H11F3N2O2S2
Molecular Weight372.39 g/mol
Exact Mass372.02
IUPAC Name1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1
InChIInChI=1S/C15H11F3N2O2S2/c1-24(21,22)11-6-4-10(5-7-11)20-9-13(15(16,17)18)19-14(20)12-3-2-8-23-12/h2-9H,1H3
InChIKeyHSTMHTOCYJEAHE-UHFFFAOYSA-N
XLogP4.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)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 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole (CID 11793632) is 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole is CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccs2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is HSTMHTOCYJEAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S2/c1-24(21,22)11-6-4-10(5-7-11)20-9-13(15(16,17)18)19-14(20)12-3-2-8-23-12/h2-9H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole?
1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 372.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-thiophen-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 11793632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).