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

C11H7F3N2O3 — CID 7038758

IUPAC1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H7F3N2O3/c1-15-8(17)9(18)16(10(15)19)7-4-2-3-6(5-7)11(12,13)14/h2-5H,1H3
InChIKeyRZNPNJQOWMLWAS-UHFFFAOYSA-N
MW272.18 g/mol
LogP1.63
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione

1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione (PubChem CID 7038758) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione
PubChem CID7038758
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H7F3N2O3/c1-15-8(17)9(18)16(10(15)19)7-4-2-3-6(5-7)11(12,13)14/h2-5H,1H3
InChIKeyRZNPNJQOWMLWAS-UHFFFAOYSA-N
XLogP1.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione (CID 7038758) is 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione?
The InChIKey is RZNPNJQOWMLWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c1-15-8(17)9(18)16(10(15)19)7-4-2-3-6(5-7)11(12,13)14/h2-5H,1H3.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione?
1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione has a molecular weight of 272.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7038758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).