2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone

C17H14Cl2N2OS — CID 3572805

IUPAC2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1ccn2c(C(=O)CSc3ccc(Cl)cc3Cl)c(C)nc2c1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-5-6-21-16(7-10)20-11(2)17(21)14(22)9-23-15-4-3-12(18)8-13(15)19/h3-8H,9H2,1-2H3
InChIKeyZKOUCLNYJVRYAQ-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.23
Rot. Bonds4

About 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone

2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 3572805) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID3572805
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1ccn2c(C(=O)CSc3ccc(Cl)cc3Cl)c(C)nc2c1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-5-6-21-16(7-10)20-11(2)17(21)14(22)9-23-15-4-3-12(18)8-13(15)19/h3-8H,9H2,1-2H3
InChIKeyZKOUCLNYJVRYAQ-UHFFFAOYSA-N
XLogP5.23
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone with MolForge

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Related Compounds

2-[(3-Chlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472567
2-[(2,4-Dichlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472569
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
5,6-bis[(4-chlorophenyl)sulfanyl]-2-pyridin-4-yl-1H-benzimidazole-4,7-dione
CID 145970159
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
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
1-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-2-(phenylsulfanyl)-1-ethanone
CID 3572801
2-(2,5-Dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 54771597

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 3572805) is 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1ccn2c(C(=O)CSc3ccc(Cl)cc3Cl)c(C)nc2c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is ZKOUCLNYJVRYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-10-5-6-21-16(7-10)20-11(2)17(21)14(22)9-23-15-4-3-12(18)8-13(15)19/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone?
2-(2,4-dichlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 365.29 g/mol, XLogP of 5.23, 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-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 3572805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).