9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline

C10H10BrN3 — CID 115046906

IUPAC9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline
SMILESBrc1cccc2c1N1CCN=C1CN2
InChIInChI=1S/C10H10BrN3/c11-7-2-1-3-8-10(7)14-5-4-12-9(14)6-13-8/h1-3,13H,4-6H2
InChIKeyWNJIBMGKPMNDOY-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.09
Rot. Bonds

About 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline

9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline (PubChem CID 115046906) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline
PubChem CID115046906
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline
SMILESBrc1cccc2c1N1CCN=C1CN2
InChIInChI=1S/C10H10BrN3/c11-7-2-1-3-8-10(7)14-5-4-12-9(14)6-13-8/h1-3,13H,4-6H2
InChIKeyWNJIBMGKPMNDOY-UHFFFAOYSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline?
The IUPAC name of 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline (CID 115046906) is 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline.
What is the SMILES notation for 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline?
The canonical SMILES for 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline is Brc1cccc2c1N1CCN=C1CN2.
What is the InChIKey of 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline?
The InChIKey is WNJIBMGKPMNDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-7-2-1-3-8-10(7)14-5-4-12-9(14)6-13-8/h1-3,13H,4-6H2.
What are the key properties of 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline?
9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline has a molecular weight of 252.11 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,2,4,5-tetrahydroimidazo[1,2-a]quinoxaline is sourced from PubChem (CID 115046906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).