5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

C13H23F3N2O — CID 83260297

IUPAC5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C13H23F3N2O/c1-4-9(3)11-12(19)18(10(5-2)17-11)8-6-7-13(14,15)16/h9-11,17H,4-8H2,1-3H3
InChIKeyJRYYRZTYAXEBCW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.91
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83260297) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83260297
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C13H23F3N2O/c1-4-9(3)11-12(19)18(10(5-2)17-11)8-6-7-13(14,15)16/h9-11,17H,4-8H2,1-3H3
InChIKeyJRYYRZTYAXEBCW-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
CID 83245523
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
CID 102702008
5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259681
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
CID 114102642
5-butan-2-yl-2-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83254561
5-butan-2-yl-3-(3-methylbutyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83237061
5-butan-2-yl-2-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249724
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83260297) is 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CCC(C)C1NC(CC)N(CCCC(F)(F)F)C1=O.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is JRYYRZTYAXEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-9(3)11-12(19)18(10(5-2)17-11)8-6-7-13(14,15)16/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83260297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).