3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

C12H11F3N2O2 — CID 3059466

IUPAC3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)NC(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-17-10(18)9(16-11(17)19)6-7-3-2-4-8(5-7)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)
InChIKeyQVYUJAQNGTZTCM-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.80
Rot. Bonds2

About 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 3059466) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID3059466
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)NC(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-17-10(18)9(16-11(17)19)6-7-3-2-4-8(5-7)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)
InChIKeyQVYUJAQNGTZTCM-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 3059466) is 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is CN1C(=O)NC(Cc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is QVYUJAQNGTZTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-17-10(18)9(16-11(17)19)6-7-3-2-4-8(5-7)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19).
What are the key properties of 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 272.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3059466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).