3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione

C15H19ClN2O3 — CID 7181008

IUPAC3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-3-15(4-2)13(19)18(14(20)17-15)9-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyTXUKYLBMZGLSCF-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.83
Rot. Bonds6

About 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione

3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 7181008) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID7181008
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-3-15(4-2)13(19)18(14(20)17-15)9-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyTXUKYLBMZGLSCF-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.83
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

5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181009
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2087631
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562071
3-[2-(4-chlorophenoxy)ethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51249961
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
CID 84601494
3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42898078
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione (CID 7181008) is 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is TXUKYLBMZGLSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-3-15(4-2)13(19)18(14(20)17-15)9-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 310.78 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 7181008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).