5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione

C25H23FN2O3 — CID 17394454

IUPAC5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CCOc1ccccc1F
InChIInChI=1S/C25H23FN2O3/c26-21-13-7-8-14-22(21)31-16-15-28-23(29)25(27-24(28)30,17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,30)
InChIKeyGWDCFYNIUHSIBJ-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.98
Rot. Bonds8

About 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione

5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 17394454) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID17394454
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CCOc1ccccc1F
InChIInChI=1S/C25H23FN2O3/c26-21-13-7-8-14-22(21)31-16-15-28-23(29)25(27-24(28)30,17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,30)
InChIKeyGWDCFYNIUHSIBJ-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3584642
3-[2-(2-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815465
5-cyclopropyl-3-[2-(2-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4881528
(5R)-5-benzyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7240283
(5R)-5-benzyl-3-[2-(2-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7637564
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
3-[(4S)-1-[2-(2-fluorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52514833
5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 4882223
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170722
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 43243887
5-(2,5-difluorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 17487504

Frequently Asked Questions

What is the IUPAC name of 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione (CID 17394454) is 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CCOc1ccccc1F.
What is the InChIKey of 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is GWDCFYNIUHSIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-21-13-7-8-14-22(21)31-16-15-28-23(29)25(27-24(28)30,17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,30).
What are the key properties of 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione?
5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 418.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17394454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).