3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one

C13H16F2N2O — CID 83238048

IUPAC3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one
SMILESCCCCN1C(=O)CNC1c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c1-2-3-6-17-12(18)8-16-13(17)10-5-4-9(14)7-11(10)15/h4-5,7,13,16H,2-3,6,8H2,1H3
InChIKeyXLMSGKFNTMIVEV-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.20
Rot. Bonds4

About 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one

3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one (PubChem CID 83238048) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one
PubChem CID83238048
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one
SMILESCCCCN1C(=O)CNC1c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c1-2-3-6-17-12(18)8-16-13(17)10-5-4-9(14)7-11(10)15/h4-5,7,13,16H,2-3,6,8H2,1H3
InChIKeyXLMSGKFNTMIVEV-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one (CID 83238048) is 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one is CCCCN1C(=O)CNC1c1ccc(F)cc1F.
What is the InChIKey of 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one?
The InChIKey is XLMSGKFNTMIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-2-3-6-17-12(18)8-16-13(17)10-5-4-9(14)7-11(10)15/h4-5,7,13,16H,2-3,6,8H2,1H3.
What are the key properties of 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one?
3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one has a molecular weight of 254.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83238048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).