6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine

C12H6BrCl2N3S — CID 79947482

IUPAC6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine
SMILESClc1ccc(Cl)c(Sc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C12H6BrCl2N3S/c13-10-6-18-4-3-16-11(18)12(17-10)19-9-5-7(14)1-2-8(9)15/h1-6H
InChIKeyCFKCPOGLUCHNRP-UHFFFAOYSA-N
MW375.08 g/mol
LogP4.95
Rot. Bonds2

About 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine

6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine (PubChem CID 79947482) has the molecular formula C12H6BrCl2N3S and a molecular weight of 375.08 g/mol. Its IUPAC name is 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine
PubChem CID79947482
Molecular FormulaC12H6BrCl2N3S
Molecular Weight375.08 g/mol
Exact Mass372.88
IUPAC Name6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine
SMILESClc1ccc(Cl)c(Sc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C12H6BrCl2N3S/c13-10-6-18-4-3-16-11(18)12(17-10)19-9-5-7(14)1-2-8(9)15/h1-6H
InChIKeyCFKCPOGLUCHNRP-UHFFFAOYSA-N
XLogP4.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.08
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine (CID 79947482) is 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine is Clc1ccc(Cl)c(Sc2nc(Br)cn3ccnc23)c1.
What is the InChIKey of 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine?
The InChIKey is CFKCPOGLUCHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2N3S/c13-10-6-18-4-3-16-11(18)12(17-10)19-9-5-7(14)1-2-8(9)15/h1-6H.
What are the key properties of 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine?
6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine has a molecular weight of 375.08 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(2,5-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79947482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).