5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione

C22H21F5N2O4 — CID 55923174

IUPAC5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O
InChIInChI=1S/C22H21F5N2O4/c1-21(10-9-14-5-7-16(8-6-14)33-19(23)24)18(30)29(20(31)28-21)12-15-3-2-4-17(11-15)32-13-22(25,26)27/h2-8,11,19H,9-10,12-13H2,1H3,(H,28,31)
InChIKeyLQUYPUQDTRUTJQ-UHFFFAOYSA-N
MW472.41 g/mol
LogP4.67
Rot. Bonds9

About 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 55923174) has the molecular formula C22H21F5N2O4 and a molecular weight of 472.41 g/mol. Its IUPAC name is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID55923174
Molecular FormulaC22H21F5N2O4
Molecular Weight472.41 g/mol
Exact Mass472.14
IUPAC Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O
InChIInChI=1S/C22H21F5N2O4/c1-21(10-9-14-5-7-16(8-6-14)33-19(23)24)18(30)29(20(31)28-21)12-15-3-2-4-17(11-15)32-13-22(25,26)27/h2-8,11,19H,9-10,12-13H2,1H3,(H,28,31)
InChIKeyLQUYPUQDTRUTJQ-UHFFFAOYSA-N
XLogP4.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 55305649
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602090
3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 55305630
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione
CID 112828042
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(3-propan-2-yloxyphenyl)methyl]imidazolidine-2,4-dione
CID 56684761
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 52533141
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 42998312
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 30000395
3-[[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 55857736
5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
CID 75448186
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 8506760

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione (CID 55923174) is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione is CC1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O.
What is the InChIKey of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is LQUYPUQDTRUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N2O4/c1-21(10-9-14-5-7-16(8-6-14)33-19(23)24)18(30)29(20(31)28-21)12-15-3-2-4-17(11-15)32-13-22(25,26)27/h2-8,11,19H,9-10,12-13H2,1H3,(H,28,31).
What are the key properties of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione?
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 472.41 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55923174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).