2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C13H15F3N2O2 — CID 83255096

IUPAC2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2CCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-20-10-4-2-9(3-5-10)12-17-8-11(19)18(12)7-6-13(14,15)16/h2-5,12,17H,6-8H2,1H3
InChIKeyVTGYYHWOJCSZFZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83255096) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83255096
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCOc1ccc(C2NCC(=O)N2CCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-20-10-4-2-9(3-5-10)12-17-8-11(19)18(12)7-6-13(14,15)16/h2-5,12,17H,6-8H2,1H3
InChIKeyVTGYYHWOJCSZFZ-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83255096) is 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is COc1ccc(C2NCC(=O)N2CCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is VTGYYHWOJCSZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-10-4-2-9(3-5-10)12-17-8-11(19)18(12)7-6-13(14,15)16/h2-5,12,17H,6-8H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 288.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83255096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).