5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one

C12H21F3N2O — CID 83259875

IUPAC5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC1NC(C(C)C)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O/c1-8(2)10-16-9(3)11(18)17(10)7-5-4-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyWEFMTCRHIIQSEJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.52
Rot. Bonds5

About 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one

5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (PubChem CID 83259875) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
PubChem CID83259875
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC1NC(C(C)C)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O/c1-8(2)10-16-9(3)11(18)17(10)7-5-4-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyWEFMTCRHIIQSEJ-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (CID 83259875) is 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one is CC1NC(C(C)C)N(CCCCC(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The InChIKey is WEFMTCRHIIQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)10-16-9(3)11(18)17(10)7-5-4-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one has a molecular weight of 266.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one is sourced from PubChem (CID 83259875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).