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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Related Compounds

5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide
CID 21318193
5-methylidene-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 89013519
3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
CID 140977118
1-[2-(1H-imidazol-2-yl)ethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 118916795
4-(pyridin-4-ylmethyl)-6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 10368943
N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 89013277
4-[4-(trifluoromethylsulfanyl)benzoyl]piperazine-2,6-dione
CID 66083933
1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
CID 162534995
5-oxo-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxylic acid
CID 168691782
1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 91457548
1-[4-(trifluoromethylsulfanyl)phenyl]-2,5-dihydrotetrazole-5-carbaldehyde
CID 174495003
5,5-bis[1-(2-methylsulfonylpyrimidin-4-yl)ethyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 68885977

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).