2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone

C16H10Cl2F2N2OS — CID 2738455

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESO=C(c1cnc2ccccn12)C(F)(F)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl2F2N2OS/c17-11-4-3-5-12(18)10(11)9-24-16(19,20)15(23)13-8-21-14-6-1-2-7-22(13)14/h1-8H,9H2
InChIKeyBNGRMVBXRCNWOP-UHFFFAOYSA-N
MW387.24 g/mol
LogP5.35
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone

2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone (PubChem CID 2738455) has the molecular formula C16H10Cl2F2N2OS and a molecular weight of 387.24 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone
PubChem CID2738455
Molecular FormulaC16H10Cl2F2N2OS
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESO=C(c1cnc2ccccn12)C(F)(F)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl2F2N2OS/c17-11-4-3-5-12(18)10(11)9-24-16(19,20)15(23)13-8-21-14-6-1-2-7-22(13)14/h1-8H,9H2
InChIKeyBNGRMVBXRCNWOP-UHFFFAOYSA-N
XLogP5.35
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.24
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone with MolForge

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 15
CID 5330615
Aminoimidazo[1,2-a]pyridine deriv. 42
CID 5330618
Aminoimidazo[1,2-a]pyridine deriv. 31
CID 5330624
Aminoimidazo[1,2-a]pyridine deriv. 7
CID 5330629
Aminoimidazo[1,2-a]pyridine deriv. 12
CID 5330634
2-[(3-Chlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472567
(4-Chlorophenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 1484079
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
6-Chloro-2-[(phenylmethylthio)methyl]imidazo[1,2-a]pyridine
CID 4564792
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 7998571

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone (CID 2738455) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone is O=C(c1cnc2ccccn12)C(F)(F)SCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
The InChIKey is BNGRMVBXRCNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2OS/c17-11-4-3-5-12(18)10(11)9-24-16(19,20)15(23)13-8-21-14-6-1-2-7-22(13)14/h1-8H,9H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone?
2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone has a molecular weight of 387.24 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-2,2-difluoro-1-imidazo[1,2-a]pyridin-3-ylethanone is sourced from PubChem (CID 2738455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).