3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione

C23H18Cl2N2O3 — CID 5095700

IUPAC3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c24-18-11-12-20(19(25)15-18)30-14-13-27-21(28)23(26-22(27)29,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,26,29)
InChIKeyQJHKPQODAXIJMD-UHFFFAOYSA-N
MW441.31 g/mol
LogP4.87
Rot. Bonds6

About 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 5095700) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID5095700
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c24-18-11-12-20(19(25)15-18)30-14-13-27-21(28)23(26-22(27)29,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,26,29)
InChIKeyQJHKPQODAXIJMD-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 54.87
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

5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170722
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216
3-[(2,4-dichlorophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4272734
3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617438
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221626
3-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 1262771
(5R)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 2117014
3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221340
3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2965830
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
(5S)-5-benzyl-3-[2-(3-chlorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 41142324

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione (CID 5095700) is 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is QJHKPQODAXIJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c24-18-11-12-20(19(25)15-18)30-14-13-27-21(28)23(26-22(27)29,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,26,29).
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 441.31 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 5095700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).