5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione

C15H17Cl3N2O4 — CID 2215942

IUPAC5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCOCCOc2c(Cl)cc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H17Cl3N2O4/c1-15(2)13(21)20(14(22)19-15)3-4-23-5-6-24-12-10(17)7-9(16)8-11(12)18/h7-8H,3-6H2,1-2H3,(H,19,22)
InChIKeySZOHPZVWJNJNOK-UHFFFAOYSA-N
MW395.67 g/mol
LogP3.37
Rot. Bonds7

About 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione (PubChem CID 2215942) has the molecular formula C15H17Cl3N2O4 and a molecular weight of 395.67 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione
PubChem CID2215942
Molecular FormulaC15H17Cl3N2O4
Molecular Weight395.67 g/mol
Exact Mass394.03
IUPAC Name5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCOCCOc2c(Cl)cc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H17Cl3N2O4/c1-15(2)13(21)20(14(22)19-15)3-4-23-5-6-24-12-10(17)7-9(16)8-11(12)18/h7-8H,3-6H2,1-2H3,(H,19,22)
InChIKeySZOHPZVWJNJNOK-UHFFFAOYSA-N
XLogP3.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione (CID 2215942) is 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCOCCOc2c(Cl)cc(Cl)cc2Cl)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
The InChIKey is SZOHPZVWJNJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3N2O4/c1-15(2)13(21)20(14(22)19-15)3-4-23-5-6-24-12-10(17)7-9(16)8-11(12)18/h7-8H,3-6H2,1-2H3,(H,19,22).
What are the key properties of 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione has a molecular weight of 395.67 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2215942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).