6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C15H12F3N3O2S — CID 118219404

IUPAC6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCCS(=O)(=O)c1ccccc1-c1cnc2nc(C(F)(F)F)cn2c1
InChIInChI=1S/C15H12F3N3O2S/c1-2-24(22,23)12-6-4-3-5-11(12)10-7-19-14-20-13(15(16,17)18)9-21(14)8-10/h3-9H,2H2,1H3
InChIKeyNWHBCJBMWJILPK-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.21
Rot. Bonds3

About 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine

6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 118219404) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID118219404
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCCS(=O)(=O)c1ccccc1-c1cnc2nc(C(F)(F)F)cn2c1
InChIInChI=1S/C15H12F3N3O2S/c1-2-24(22,23)12-6-4-3-5-11(12)10-7-19-14-20-13(15(16,17)18)9-21(14)8-10/h3-9H,2H2,1H3
InChIKeyNWHBCJBMWJILPK-UHFFFAOYSA-N
XLogP3.21
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine 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 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 118219404) is 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CCS(=O)(=O)c1ccccc1-c1cnc2nc(C(F)(F)F)cn2c1.
What is the InChIKey of 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is NWHBCJBMWJILPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-2-24(22,23)12-6-4-3-5-11(12)10-7-19-14-20-13(15(16,17)18)9-21(14)8-10/h3-9H,2H2,1H3.
What are the key properties of 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 355.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfonylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118219404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).