5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione

C21H19F3N2O4S — CID 11015854

IUPAC5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)CSc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1=O
InChIInChI=1S/C21H19F3N2O4S/c1-20(2)18(28)26(19(29)25-20)11-15(27)12-31-17-9-5-14(6-10-17)13-3-7-16(8-4-13)30-21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyFZLRCINCEMNSND-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.24
Rot. Bonds7

About 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione (PubChem CID 11015854) has the molecular formula C21H19F3N2O4S and a molecular weight of 452.45 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione
PubChem CID11015854
Molecular FormulaC21H19F3N2O4S
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC Name5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)CSc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1=O
InChIInChI=1S/C21H19F3N2O4S/c1-20(2)18(28)26(19(29)25-20)11-15(27)12-31-17-9-5-14(6-10-17)13-3-7-16(8-4-13)30-21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyFZLRCINCEMNSND-UHFFFAOYSA-N
XLogP4.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[2-(hydroxyamino)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 11812900
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209845
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 42964296
methyl 2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfanylacetate
CID 11142882
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711300
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3666642
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7916875
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41167122
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 71685389
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18279030

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione (CID 11015854) is 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)CSc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione?
The InChIKey is FZLRCINCEMNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4S/c1-20(2)18(28)26(19(29)25-20)11-15(27)12-31-17-9-5-14(6-10-17)13-3-7-16(8-4-13)30-21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,29).
What are the key properties of 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione has a molecular weight of 452.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]sulfanylpropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11015854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).