2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C16H13Cl2F3N4O2S — CID 170514772

IUPAC2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1c(-c2ncc(C=C(Cl)Cl)n2C)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H13Cl2F3N4O2S/c1-3-28(26,27)15-13(14-22-7-10(24(14)2)6-11(17)18)23-12-5-4-9(8-25(12)15)16(19,20)21/h4-8H,3H2,1-2H3
InChIKeyGEXRVIVHONNHRL-UHFFFAOYSA-N
MW453.27 g/mol
LogP4.32
Rot. Bonds4

About 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine

2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 170514772) has the molecular formula C16H13Cl2F3N4O2S and a molecular weight of 453.27 g/mol. Its IUPAC name is 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID170514772
Molecular FormulaC16H13Cl2F3N4O2S
Molecular Weight453.27 g/mol
Exact Mass452.01
IUPAC Name2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1c(-c2ncc(C=C(Cl)Cl)n2C)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H13Cl2F3N4O2S/c1-3-28(26,27)15-13(14-22-7-10(24(14)2)6-11(17)18)23-12-5-4-9(8-25(12)15)16(19,20)21/h4-8H,3H2,1-2H3
InChIKeyGEXRVIVHONNHRL-UHFFFAOYSA-N
XLogP4.32
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylsulfonyl-2-[5-[(Z)-2,3,3,4,4,4-hexafluorobut-1-enyl]-1-methylimidazol-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 170514762
3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312
2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 170659360
2-[5-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1-methylimidazol-2-yl]-5-cyclopropyl-3-ethylsulfonylpyridine
CID 166728806
ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178169
ethyl 2-[[[6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 165178188
3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-8-amine
CID 142305723
3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163221579
ethyl 5-ethylsulfonyl-6-[3-oxo-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]pyridine-3-carboxylate
CID 155685797
3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 168753793
2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412150
2-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine
CID 129040689

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 170514772) is 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CCS(=O)(=O)c1c(-c2ncc(C=C(Cl)Cl)n2C)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is GEXRVIVHONNHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N4O2S/c1-3-28(26,27)15-13(14-22-7-10(24(14)2)6-11(17)18)23-12-5-4-9(8-25(12)15)16(19,20)21/h4-8H,3H2,1-2H3.
What are the key properties of 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 453.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 170514772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).