2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine

C15H11F3N2O2S — CID 122222300

IUPAC2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-23(21,22)11-7-5-10(6-8-11)13-14(15(16,17)18)20-9-3-2-4-12(20)19-13/h2-9H,1H3
InChIKeyAFMQHOISDJCALZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.42
Rot. Bonds2

About 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine

2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 122222300) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID122222300
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-23(21,22)11-7-5-10(6-8-11)13-14(15(16,17)18)20-9-3-2-4-12(20)19-13/h2-9H,1H3
InChIKeyAFMQHOISDJCALZ-UHFFFAOYSA-N
XLogP3.42
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 167713581
3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 70024217
N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 171933601
1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 171922177
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139788743
1-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-3-phenylthiourea
CID 171933585
2-(4-tert-butylphenyl)-3-methylimidazo[1,2-a]pyridine
CID 66561784
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
2-(4-methylsulfonylphenyl)-3-(6-nitro-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridine
CID 171933645
N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 171933659
2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618253
2-(2,4-difluorophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 101404163

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 122222300) is 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2nc3ccccn3c2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is AFMQHOISDJCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-23(21,22)11-7-5-10(6-8-11)13-14(15(16,17)18)20-9-3-2-4-12(20)19-13/h2-9H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 340.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 122222300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).