6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole

C18H14F2N4O4S — CID 122608310

IUPAC6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCCS(=O)(=O)c1c(-c2nc3cc4c(cc3n2C)OC(F)(F)O4)nc2ccccn12
InChIInChI=1S/C18H14F2N4O4S/c1-3-29(25,26)17-15(22-14-6-4-5-7-24(14)17)16-21-10-8-12-13(9-11(10)23(16)2)28-18(19,20)27-12/h4-9H,3H2,1-2H3
InChIKeyBGWJUUYVISJMKE-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.00
Rot. Bonds3

About 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole

6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 122608310) has the molecular formula C18H14F2N4O4S and a molecular weight of 420.40 g/mol. Its IUPAC name is 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID122608310
Molecular FormulaC18H14F2N4O4S
Molecular Weight420.40 g/mol
Exact Mass420.07
IUPAC Name6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCCS(=O)(=O)c1c(-c2nc3cc4c(cc3n2C)OC(F)(F)O4)nc2ccccn12
InChIInChI=1S/C18H14F2N4O4S/c1-3-29(25,26)17-15(22-14-6-4-5-7-24(14)17)16-21-10-8-12-13(9-11(10)23(16)2)28-18(19,20)27-12/h4-9H,3H2,1-2H3
InChIKeyBGWJUUYVISJMKE-UHFFFAOYSA-N
XLogP3.00
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole (CID 122608310) is 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole is CCS(=O)(=O)c1c(-c2nc3cc4c(cc3n2C)OC(F)(F)O4)nc2ccccn12.
What is the InChIKey of 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is BGWJUUYVISJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O4S/c1-3-29(25,26)17-15(22-14-6-4-5-7-24(14)17)16-21-10-8-12-13(9-11(10)23(16)2)28-18(19,20)27-12/h4-9H,3H2,1-2H3.
What are the key properties of 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole?
6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 420.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 122608310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).