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

C16H13ClN2OS — CID 1472567

IUPAC2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2OS/c1-11-16(19-8-3-2-7-15(19)18-11)14(20)10-21-13-6-4-5-12(17)9-13/h2-9H,10H2,1H3
InChIKeyJGFFQPYJONOLBK-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.27
Rot. Bonds4

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

2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 1472567) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID1472567
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1C(=O)CSc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2OS/c1-11-16(19-8-3-2-7-15(19)18-11)14(20)10-21-13-6-4-5-12(17)9-13/h2-9H,10H2,1H3
InChIKeyJGFFQPYJONOLBK-UHFFFAOYSA-N
XLogP4.27
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 1472567) is 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1nc2ccccn2c1C(=O)CSc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is JGFFQPYJONOLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-11-16(19-8-3-2-7-15(19)18-11)14(20)10-21-13-6-4-5-12(17)9-13/h2-9H,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 316.81 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 1472567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).