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

C11H7F3N2O2S — CID 89275021

IUPAC5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESC=C1NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O
InChIInChI=1S/C11H7F3N2O2S/c1-6-9(17)16(10(18)15-6)7-2-4-8(5-3-7)19-11(12,13)14/h2-5H,1H2,(H,15,18)
InChIKeyRTTLRUGBQGOEEY-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.87
Rot. Bonds2

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

5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (PubChem CID 89275021) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
PubChem CID89275021
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Name5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESC=C1NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O
InChIInChI=1S/C11H7F3N2O2S/c1-6-9(17)16(10(18)15-6)7-2-4-8(5-3-7)19-11(12,13)14/h2-5H,1H2,(H,15,18)
InChIKeyRTTLRUGBQGOEEY-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (CID 89275021) is 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is C=C1NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O.
What is the InChIKey of 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is RTTLRUGBQGOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c1-6-9(17)16(10(18)15-6)7-2-4-8(5-3-7)19-11(12,13)14/h2-5H,1H2,(H,15,18).
What are the key properties of 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 288.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 89275021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).