1,3-dibenzylperimidin-2-one

C25H20N2O — CID 1327445

IUPAC1,3-dibenzylperimidin-2-one
SMILESO=C1N(Cc2ccccc2)c2cccc3cccc(c23)N1Cc1ccccc1
InChIInChI=1S/C25H20N2O/c28-25-26(17-19-9-3-1-4-10-19)22-15-7-13-21-14-8-16-23(24(21)22)27(25)18-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyYXSXHEZFFBEOQN-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.99
Rot. Bonds4

About 1,3-dibenzylperimidin-2-one

1,3-dibenzylperimidin-2-one (PubChem CID 1327445) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1,3-dibenzylperimidin-2-one.

Molecular Properties

Compound Name1,3-dibenzylperimidin-2-one
PubChem CID1327445
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name1,3-dibenzylperimidin-2-one
SMILESO=C1N(Cc2ccccc2)c2cccc3cccc(c23)N1Cc1ccccc1
InChIInChI=1S/C25H20N2O/c28-25-26(17-19-9-3-1-4-10-19)22-15-7-13-21-14-8-16-23(24(21)22)27(25)18-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyYXSXHEZFFBEOQN-UHFFFAOYSA-N
XLogP5.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylperimidin-2-one?
The IUPAC name of 1,3-dibenzylperimidin-2-one (CID 1327445) is 1,3-dibenzylperimidin-2-one.
What is the SMILES notation for 1,3-dibenzylperimidin-2-one?
The canonical SMILES for 1,3-dibenzylperimidin-2-one is O=C1N(Cc2ccccc2)c2cccc3cccc(c23)N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzylperimidin-2-one?
The InChIKey is YXSXHEZFFBEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c28-25-26(17-19-9-3-1-4-10-19)22-15-7-13-21-14-8-16-23(24(21)22)27(25)18-20-11-5-2-6-12-20/h1-16H,17-18H2.
What are the key properties of 1,3-dibenzylperimidin-2-one?
1,3-dibenzylperimidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzylperimidin-2-one is sourced from PubChem (CID 1327445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).