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

C11H7F3N2O2 — CID 3059464

IUPAC5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(18)15-8/h1-5H,(H2,15,16,17,18)
InChIKeyMILYCRZXXXKJFB-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.89
Rot. Bonds1

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

5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 3059464) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID3059464
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(18)15-8/h1-5H,(H2,15,16,17,18)
InChIKeyMILYCRZXXXKJFB-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (CID 3059464) is 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is MILYCRZXXXKJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(18)15-8/h1-5H,(H2,15,16,17,18).
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 256.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 3059464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).