3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C25H29F3N2O3 — CID 174301481

IUPAC3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N(c3ccc(C(F)(F)F)cc3)C(C)(C)C2=O)cc(C)c1OC(C)(C)C
InChIInChI=1S/C25H29F3N2O3/c1-15-12-17(13-16(2)20(15)33-23(3,4)5)14-29-21(31)24(6,7)30(22(29)32)19-10-8-18(9-11-19)25(26,27)28/h8-13H,14H2,1-7H3
InChIKeyRAYMLBUIIIIBQS-UHFFFAOYSA-N
MW462.51 g/mol
LogP6.25
Rot. Bonds4

About 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 174301481) has the molecular formula C25H29F3N2O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID174301481
Molecular FormulaC25H29F3N2O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N(c3ccc(C(F)(F)F)cc3)C(C)(C)C2=O)cc(C)c1OC(C)(C)C
InChIInChI=1S/C25H29F3N2O3/c1-15-12-17(13-16(2)20(15)33-23(3,4)5)14-29-21(31)24(6,7)30(22(29)32)19-10-8-18(9-11-19)25(26,27)28/h8-13H,14H2,1-7H3
InChIKeyRAYMLBUIIIIBQS-UHFFFAOYSA-N
XLogP6.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174303131
3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174302476
2-[4-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
CID 170067262
ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170067260
2-[4-[dideuterio-[5-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 171612762
2-[2-methyl-4-[[5-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]methyl]-6-(trifluoromethyl)phenoxy]propyl propanoate
CID 175847259
5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 3054228
3-[4-isocyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-1-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 59296587
ethyl 2-[2,6-dimethyl-4-[[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170066320
2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 170066843
4-[(4-amino-3-methylphenyl)methyl]-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
CID 87908513
2-[(4-amino-3-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-one
CID 67175145

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 174301481) is 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is Cc1cc(CN2C(=O)N(c3ccc(C(F)(F)F)cc3)C(C)(C)C2=O)cc(C)c1OC(C)(C)C.
What is the InChIKey of 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is RAYMLBUIIIIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O3/c1-15-12-17(13-16(2)20(15)33-23(3,4)5)14-29-21(31)24(6,7)30(22(29)32)19-10-8-18(9-11-19)25(26,27)28/h8-13H,14H2,1-7H3.
What are the key properties of 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 462.51 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 174301481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).