6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine

C13H9BrClN3O — CID 79955389

IUPAC6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine
SMILESCc1cc(Oc2nc(Br)cn3ccnc23)ccc1Cl
InChIInChI=1S/C13H9BrClN3O/c1-8-6-9(2-3-10(8)15)19-13-12-16-4-5-18(12)7-11(14)17-13/h2-7H,1H3
InChIKeyGYEMUTRFGIJZSS-UHFFFAOYSA-N
MW338.59 g/mol
LogP4.25
Rot. Bonds2

About 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine

6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine (PubChem CID 79955389) has the molecular formula C13H9BrClN3O and a molecular weight of 338.59 g/mol. Its IUPAC name is 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine
PubChem CID79955389
Molecular FormulaC13H9BrClN3O
Molecular Weight338.59 g/mol
Exact Mass336.96
IUPAC Name6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine
SMILESCc1cc(Oc2nc(Br)cn3ccnc23)ccc1Cl
InChIInChI=1S/C13H9BrClN3O/c1-8-6-9(2-3-10(8)15)19-13-12-16-4-5-18(12)7-11(14)17-13/h2-7H,1H3
InChIKeyGYEMUTRFGIJZSS-UHFFFAOYSA-N
XLogP4.25
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine (CID 79955389) is 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine is Cc1cc(Oc2nc(Br)cn3ccnc23)ccc1Cl.
What is the InChIKey of 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine?
The InChIKey is GYEMUTRFGIJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O/c1-8-6-9(2-3-10(8)15)19-13-12-16-4-5-18(12)7-11(14)17-13/h2-7H,1H3.
What are the key properties of 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine has a molecular weight of 338.59 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(4-chloro-3-methylphenoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).