1,6-dibenzyl-3,5-dichloropyrazin-2-one

C18H14Cl2N2O — CID 11791778

IUPAC1,6-dibenzyl-3,5-dichloropyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)c(Cc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C18H14Cl2N2O/c19-16-15(11-13-7-3-1-4-8-13)22(18(23)17(20)21-16)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyJXNGIFGKQSAOSK-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.19
Rot. Bonds4

About 1,6-dibenzyl-3,5-dichloropyrazin-2-one

1,6-dibenzyl-3,5-dichloropyrazin-2-one (PubChem CID 11791778) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 1,6-dibenzyl-3,5-dichloropyrazin-2-one.

Molecular Properties

Compound Name1,6-dibenzyl-3,5-dichloropyrazin-2-one
PubChem CID11791778
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name1,6-dibenzyl-3,5-dichloropyrazin-2-one
SMILESO=c1c(Cl)nc(Cl)c(Cc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C18H14Cl2N2O/c19-16-15(11-13-7-3-1-4-8-13)22(18(23)17(20)21-16)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyJXNGIFGKQSAOSK-UHFFFAOYSA-N
XLogP4.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dibenzyl-3,5-dichloropyrazin-2-one?
The IUPAC name of 1,6-dibenzyl-3,5-dichloropyrazin-2-one (CID 11791778) is 1,6-dibenzyl-3,5-dichloropyrazin-2-one.
What is the SMILES notation for 1,6-dibenzyl-3,5-dichloropyrazin-2-one?
The canonical SMILES for 1,6-dibenzyl-3,5-dichloropyrazin-2-one is O=c1c(Cl)nc(Cl)c(Cc2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 1,6-dibenzyl-3,5-dichloropyrazin-2-one?
The InChIKey is JXNGIFGKQSAOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c19-16-15(11-13-7-3-1-4-8-13)22(18(23)17(20)21-16)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 1,6-dibenzyl-3,5-dichloropyrazin-2-one?
1,6-dibenzyl-3,5-dichloropyrazin-2-one has a molecular weight of 345.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibenzyl-3,5-dichloropyrazin-2-one is sourced from PubChem (CID 11791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).