5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione

C13H14Cl2N2O2 — CID 106702943

IUPAC5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-7(2)11-12(18)17(13(19)16-11)10-6-8(14)4-5-9(10)15/h4-7,11H,3H2,1-2H3,(H,16,19)
InChIKeyFRVGCIJOKQHWCG-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.46
Rot. Bonds3

About 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione

5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione (PubChem CID 106702943) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione
PubChem CID106702943
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione
SMILESCCC(C)C1NC(=O)N(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-7(2)11-12(18)17(13(19)16-11)10-6-8(14)4-5-9(10)15/h4-7,11H,3H2,1-2H3,(H,16,19)
InChIKeyFRVGCIJOKQHWCG-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione (CID 106702943) is 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione is CCC(C)C1NC(=O)N(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione?
The InChIKey is FRVGCIJOKQHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-3-7(2)11-12(18)17(13(19)16-11)10-6-8(14)4-5-9(10)15/h4-7,11H,3H2,1-2H3,(H,16,19).
What are the key properties of 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione?
5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione has a molecular weight of 301.17 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(2,5-dichlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 106702943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).