4,6-dibromobenzo[e]perimidin-7-one

C15H6Br2N2O — CID 1067828

IUPAC4,6-dibromobenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3c(Br)cc(Br)c1c23
InChIInChI=1S/C15H6Br2N2O/c16-9-5-10(17)14-12-11(9)15(20)8-4-2-1-3-7(8)13(12)18-6-19-14/h1-6H
InChIKeyKIDHLZCGSSOAPE-UHFFFAOYSA-N
MW390.03 g/mol
LogP4.37
Rot. Bonds

About 4,6-dibromobenzo[e]perimidin-7-one

4,6-dibromobenzo[e]perimidin-7-one (PubChem CID 1067828) has the molecular formula C15H6Br2N2O and a molecular weight of 390.03 g/mol. Its IUPAC name is 4,6-dibromobenzo[e]perimidin-7-one.

Molecular Properties

Compound Name4,6-dibromobenzo[e]perimidin-7-one
PubChem CID1067828
Molecular FormulaC15H6Br2N2O
Molecular Weight390.03 g/mol
Exact Mass387.88
IUPAC Name4,6-dibromobenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3c(Br)cc(Br)c1c23
InChIInChI=1S/C15H6Br2N2O/c16-9-5-10(17)14-12-11(9)15(20)8-4-2-1-3-7(8)13(12)18-6-19-14/h1-6H
InChIKeyKIDHLZCGSSOAPE-UHFFFAOYSA-N
XLogP4.37
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.03
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromobenzo[e]perimidin-7-one?
The IUPAC name of 4,6-dibromobenzo[e]perimidin-7-one (CID 1067828) is 4,6-dibromobenzo[e]perimidin-7-one.
What is the SMILES notation for 4,6-dibromobenzo[e]perimidin-7-one?
The canonical SMILES for 4,6-dibromobenzo[e]perimidin-7-one is O=C1c2ccccc2-c2ncnc3c(Br)cc(Br)c1c23.
What is the InChIKey of 4,6-dibromobenzo[e]perimidin-7-one?
The InChIKey is KIDHLZCGSSOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Br2N2O/c16-9-5-10(17)14-12-11(9)15(20)8-4-2-1-3-7(8)13(12)18-6-19-14/h1-6H.
What are the key properties of 4,6-dibromobenzo[e]perimidin-7-one?
4,6-dibromobenzo[e]perimidin-7-one has a molecular weight of 390.03 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromobenzo[e]perimidin-7-one is sourced from PubChem (CID 1067828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).