3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

C12H13F3N2O — CID 115282048

IUPAC3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c1-2-17-10(18)7-16-11(17)8-3-5-9(6-4-8)12(13,14)15/h3-6,11,16H,2,7H2,1H3
InChIKeyFKTSKAUOTMNCSX-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.16
Rot. Bonds2

About 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 115282048) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID115282048
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c1-2-17-10(18)7-16-11(17)8-3-5-9(6-4-8)12(13,14)15/h3-6,11,16H,2,7H2,1H3
InChIKeyFKTSKAUOTMNCSX-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 115282048) is 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is CCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is FKTSKAUOTMNCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-2-17-10(18)7-16-11(17)8-3-5-9(6-4-8)12(13,14)15/h3-6,11,16H,2,7H2,1H3.
What are the key properties of 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 258.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 115282048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).