[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane

C18H12Cl3F2N5O2S — CID 164518346

About [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane

[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane (PubChem CID 164518346) has the molecular formula C18H12Cl3F2N5O2S and a molecular weight of 506.75 g/mol. Its IUPAC name is [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane.

Molecular Properties

• Compound Name: [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane
• PubChem CID: 164518346
• Molecular Formula: C18H12Cl3F2N5O2S
• Molecular Weight: 506.75 g/mol
• Exact Mass: 504.97
• IUPAC Name: [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane
• SMILES: Cc1nc2cc(-c3noc(C(F)(F)Cl)n3)ccn2c1N=S(C)(=O)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C18H12Cl3F2N5O2S/c1-9-16(27-31(2,29)14-11(19)4-3-5-12(14)20)28-7-6-10(8-13(28)24-9)15-25-17(30-26-15)18(21,22)23/h3-8H,1-2H3
• InChIKey: ZNDVOVHGSFPUQP-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 85.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.75
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane?

The IUPAC name of [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane (CID 164518346) is [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane.

What is the SMILES notation for [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane?

The canonical SMILES for [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane is Cc1nc2cc(-c3noc(C(F)(F)Cl)n3)ccn2c1N=S(C)(=O)c1c(Cl)cccc1Cl.

What is the InChIKey of [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane?

The InChIKey is ZNDVOVHGSFPUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3F2N5O2S/c1-9-16(27-31(2,29)14-11(19)4-3-5-12(14)20)28-7-6-10(8-13(28)24-9)15-25-17(30-26-15)18(21,22)23/h3-8H,1-2H3.

What are the key properties of [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane?

[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane has a molecular weight of 506.75 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 164518346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).