5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one

C13H16F2N2O — CID 83270412

IUPAC5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1CC(F)F
InChIInChI=1S/C13H16F2N2O/c1-9-16-11(7-10-5-3-2-4-6-10)13(18)17(9)8-12(14)15/h2-6,9,11-12,16H,7-8H2,1H3
InChIKeyOHMDHZSYWQVYHT-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.64
Rot. Bonds4

About 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one

5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one (PubChem CID 83270412) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one
PubChem CID83270412
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1CC(F)F
InChIInChI=1S/C13H16F2N2O/c1-9-16-11(7-10-5-3-2-4-6-10)13(18)17(9)8-12(14)15/h2-6,9,11-12,16H,7-8H2,1H3
InChIKeyOHMDHZSYWQVYHT-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one (CID 83270412) is 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one is CC1NC(Cc2ccccc2)C(=O)N1CC(F)F.
What is the InChIKey of 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one?
The InChIKey is OHMDHZSYWQVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-9-16-11(7-10-5-3-2-4-6-10)13(18)17(9)8-12(14)15/h2-6,9,11-12,16H,7-8H2,1H3.
What are the key properties of 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one?
5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one has a molecular weight of 254.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83270412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).