5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C10H17F3N2O — CID 83255355

IUPAC5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCCCC1NCN(CCC(F)(F)F)C1=O
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-8-9(16)15(7-14-8)6-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyWGHYRRNTUUGAGL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.89
Rot. Bonds5

About 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83255355) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83255355
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCCCC1NCN(CCC(F)(F)F)C1=O
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-8-9(16)15(7-14-8)6-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyWGHYRRNTUUGAGL-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butyl-3-(3,3,3-trifluoropropyl)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-butyl-3-decylimidazolidin-4-one
CID 83270318
5-butyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83257839
5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83247648
5-butyl-3-(cyclopropylmethyl)imidazolidin-4-one
CID 83251591
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
5-butyl-3-(cyclobutylmethyl)imidazolidin-4-one
CID 83244571
3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
5-butyl-3-[(3-methylcyclopentyl)methyl]imidazolidin-4-one
CID 107416078
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865
5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one
CID 114125414
5-butyl-3-[(2-methyloxolan-2-yl)methyl]imidazolidin-4-one
CID 83270798
3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one
CID 83248232

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83255355) is 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CCCCC1NCN(CCC(F)(F)F)C1=O.
What is the InChIKey of 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is WGHYRRNTUUGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-3-4-8-9(16)15(7-14-8)6-5-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 238.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83255355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).