2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C13H21F3N2O — CID 83250426

IUPAC2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H21F3N2O/c1-8(2)10-12(19)18(7-13(14,15)16)11(17-10)9-5-3-4-6-9/h8-11,17H,3-7H2,1-2H3
InChIKeySOLHXMOIDYEULZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.52
Rot. Bonds3

About 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83250426) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83250426
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H21F3N2O/c1-8(2)10-12(19)18(7-13(14,15)16)11(17-10)9-5-3-4-6-9/h8-11,17H,3-7H2,1-2H3
InChIKeySOLHXMOIDYEULZ-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83250426) is 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC(C)C1NC(C2CCCC2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is SOLHXMOIDYEULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-8(2)10-12(19)18(7-13(14,15)16)11(17-10)9-5-3-4-6-9/h8-11,17H,3-7H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 278.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83250426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).