1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione

C13H12Cl2N2O2 — CID 100638454

IUPAC1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
SMILESO=C1CN(C2CCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-5-4-9(6-11(10)15)17-12(18)7-16(13(17)19)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyNMPLTINOMJSWTB-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.31
Rot. Bonds2

About 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione

1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione (PubChem CID 100638454) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
PubChem CID100638454
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
SMILESO=C1CN(C2CCC2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-5-4-9(6-11(10)15)17-12(18)7-16(13(17)19)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyNMPLTINOMJSWTB-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
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 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione (CID 100638454) is 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione is O=C1CN(C2CCC2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione?
The InChIKey is NMPLTINOMJSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-10-5-4-9(6-11(10)15)17-12(18)7-16(13(17)19)8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione?
1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione has a molecular weight of 299.16 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 100638454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).