2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one

C13H22F2N2O — CID 83271372

IUPAC2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C13H22F2N2O/c1-8(2)11-13(18)17(7-10(14)15)12(16-11)9-5-3-4-6-9/h8-12,16H,3-7H2,1-2H3
InChIKeyBEPJUXIJLDXRJA-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.22
Rot. Bonds4

About 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one

2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83271372) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83271372
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C13H22F2N2O/c1-8(2)11-13(18)17(7-10(14)15)12(16-11)9-5-3-4-6-9/h8-12,16H,3-7H2,1-2H3
InChIKeyBEPJUXIJLDXRJA-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-3-(2,3-dimethylbutyl)-5-propan-2-ylimidazolidin-4-one
CID 83258644
3-(cyclohexylmethyl)-2-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83247815
2-cyclopentyl-3-(3-methylbutyl)-5-propan-2-ylimidazolidin-4-one
CID 83238286
2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
CID 83269160
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
2-cyclopentyl-3-(3-ethylpentan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83262884
3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83271211
2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83246555
5-butan-2-yl-2-cyclopentyl-3-[2-(dimethylamino)ethyl]imidazolidin-4-one
CID 83250489
2-cyclopentyl-3-(2,3-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83267157
2-cyclopentyl-3-(2-methoxycyclopentyl)-5-propan-2-ylimidazolidin-4-one
CID 83251720

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one (CID 83271372) is 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(C2CCCC2)N(CC(F)F)C1=O.
What is the InChIKey of 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is BEPJUXIJLDXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-8(2)11-13(18)17(7-10(14)15)12(16-11)9-5-3-4-6-9/h8-12,16H,3-7H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one?
2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 260.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83271372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).