1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione

C13H12Cl2N2O4 — CID 7824108

IUPAC1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CCOc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C13H12Cl2N2O4/c1-2-16-11(18)12(19)17(13(16)20)6-7-21-10-8(14)4-3-5-9(10)15/h3-5H,2,6-7H2,1H3
InChIKeyAHDBJJYTLJIBCE-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.18
Rot. Bonds5

About 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione

1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione (PubChem CID 7824108) has the molecular formula C13H12Cl2N2O4 and a molecular weight of 331.16 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
PubChem CID7824108
Molecular FormulaC13H12Cl2N2O4
Molecular Weight331.16 g/mol
Exact Mass330.02
IUPAC Name1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CCOc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C13H12Cl2N2O4/c1-2-16-11(18)12(19)17(13(16)20)6-7-21-10-8(14)4-3-5-9(10)15/h3-5H,2,6-7H2,1H3
InChIKeyAHDBJJYTLJIBCE-UHFFFAOYSA-N
XLogP2.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione (CID 7824108) is 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CCOc2c(Cl)cccc2Cl)C1=O.
What is the InChIKey of 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is AHDBJJYTLJIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4/c1-2-16-11(18)12(19)17(13(16)20)6-7-21-10-8(14)4-3-5-9(10)15/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 331.16 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7824108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).