1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C13H11F3N2O2 — CID 79286115

IUPAC1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H11F3N2O2/c1-2-6-17-8-11(19)18(12(17)20)10-5-3-4-9(7-10)13(14,15)16/h2-5,7H,1,6,8H2
InChIKeyKMODYWQSKWFMEN-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.66
Rot. Bonds3

About 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 79286115) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID79286115
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H11F3N2O2/c1-2-6-17-8-11(19)18(12(17)20)10-5-3-4-9(7-10)13(14,15)16/h2-5,7H,1,6,8H2
InChIKeyKMODYWQSKWFMEN-UHFFFAOYSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione
CID 79285648
4-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]piperazine-2,6-dione
CID 154285486
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 79266137
6-bromo-1,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrazin-3-one
CID 141194608
(1E)-1-[1-(cyanomethyl)-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-ylidene]-3-methylurea
CID 110185662
5-acetyl-6-methyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-one
CID 11565616
3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382279
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913
6-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009972
2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 11673993

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 79286115) is 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is C=CCN1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is KMODYWQSKWFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-2-6-17-8-11(19)18(12(17)20)10-5-3-4-9(7-10)13(14,15)16/h2-5,7H,1,6,8H2.
What are the key properties of 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 284.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79286115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).