2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C16H12Cl2N2OS — CID 1472569

IUPAC2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2OS/c1-10-16(20-7-3-2-4-15(20)19-10)13(21)9-22-14-6-5-11(17)8-12(14)18/h2-8H,9H2,1H3
InChIKeyXXMDURVCJMZNFC-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.92
Rot. Bonds4

About 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 1472569) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID1472569
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2OS/c1-10-16(20-7-3-2-4-15(20)19-10)13(21)9-22-14-6-5-11(17)8-12(14)18/h2-8H,9H2,1H3
InChIKeyXXMDURVCJMZNFC-UHFFFAOYSA-N
XLogP4.92
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Chlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472567
2-[[(4-Chlorophenyl)thio]methyl]imidazo[1,2-a]pyridine
CID 747966
2-[[(4-Chlorophenyl)thio]methyl]-5-methylimidazo[1,2-a]pyridine
CID 2967628
2-[(4-Chlorophenyl)sulfanyl]-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 4323587
2-[(2-Chlorophenyl)sulfanyl]-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 4323916
1-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-[(4-methylphenyl)sulfanyl]-1-ethanone
CID 1472561
1-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-(phenylsulfanyl)-1-ethanone
CID 1472562
1-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-2-[(4-methylphenyl)sulfanyl]-1-ethanone
CID 4323914
1-(6-Chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 3760271
2-[(2,4-Dichlorophenyl)sulfanyl]-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 3572805
2-[(2-Chlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472568
2-[(2,6-Dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone
CID 2738455

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 1472569) is 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1nc2ccccn2c1C(=O)CSc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is XXMDURVCJMZNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c1-10-16(20-7-3-2-4-15(20)19-10)13(21)9-22-14-6-5-11(17)8-12(14)18/h2-8H,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 351.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 1472569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).