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

C13H14Cl2N2O3 — CID 973296

IUPAC3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCOc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O3/c1-13(2)11(18)17(12(19)16-13)6-7-20-9-5-3-4-8(14)10(9)15/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyMJYZZNFHUAQBFG-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.70
Rot. Bonds4

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

3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 973296) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID973296
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCOc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O3/c1-13(2)11(18)17(12(19)16-13)6-7-20-9-5-3-4-8(14)10(9)15/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyMJYZZNFHUAQBFG-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 973296) is 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCOc2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MJYZZNFHUAQBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-13(2)11(18)17(12(19)16-13)6-7-20-9-5-3-4-8(14)10(9)15/h3-5H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 317.17 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dichlorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 973296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).