2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one

C13H21F3N2O — CID 106216099

IUPAC2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C13H21F3N2O/c1-4-5-9-11(19)18(10(17-9)8(2)3)12(6-7-12)13(14,15)16/h8-10,17H,4-7H2,1-3H3
InChIKeyFPDXTWCYVDJEOC-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.66
Rot. Bonds4

About 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one

2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one (PubChem CID 106216099) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
PubChem CID106216099
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C13H21F3N2O/c1-4-5-9-11(19)18(10(17-9)8(2)3)12(6-7-12)13(14,15)16/h8-10,17H,4-7H2,1-3H3
InChIKeyFPDXTWCYVDJEOC-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]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 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The IUPAC name of 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one (CID 106216099) is 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one.
What is the SMILES notation for 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The canonical SMILES for 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one is CCCC1NC(C(C)C)N(C2(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The InChIKey is FPDXTWCYVDJEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-4-5-9-11(19)18(10(17-9)8(2)3)12(6-7-12)13(14,15)16/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one has a molecular weight of 278.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one is sourced from PubChem (CID 106216099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).