5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione

C7H9Cl3N2O2 — CID 70446933

IUPAC5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione
SMILESCCCC1C(=O)NC(=O)N1C(Cl)(Cl)Cl
InChIInChI=1S/C7H9Cl3N2O2/c1-2-3-4-5(13)11-6(14)12(4)7(8,9)10/h4H,2-3H2,1H3,(H,11,13,14)
InChIKeyRXRHYUSTOOEEBV-UHFFFAOYSA-N
MW259.52 g/mol
LogP2.03
Rot. Bonds2

About 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione

5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione (PubChem CID 70446933) has the molecular formula C7H9Cl3N2O2 and a molecular weight of 259.52 g/mol. Its IUPAC name is 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione
PubChem CID70446933
Molecular FormulaC7H9Cl3N2O2
Molecular Weight259.52 g/mol
Exact Mass257.97
IUPAC Name5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione
SMILESCCCC1C(=O)NC(=O)N1C(Cl)(Cl)Cl
InChIInChI=1S/C7H9Cl3N2O2/c1-2-3-4-5(13)11-6(14)12(4)7(8,9)10/h4H,2-3H2,1H3,(H,11,13,14)
InChIKeyRXRHYUSTOOEEBV-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione (CID 70446933) is 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione is CCCC1C(=O)NC(=O)N1C(Cl)(Cl)Cl.
What is the InChIKey of 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione?
The InChIKey is RXRHYUSTOOEEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3N2O2/c1-2-3-4-5(13)11-6(14)12(4)7(8,9)10/h4H,2-3H2,1H3,(H,11,13,14).
What are the key properties of 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione?
5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione has a molecular weight of 259.52 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70446933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).