1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

C13H20N4O4 — CID 21468207

IUPAC1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(N1C(=O)NC(=O)C1(C)C)N1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C13H20N4O4/c1-6-7(16-10(20)14-8(18)12(16,2)3)17-11(21)15-9(19)13(17,4)5/h7H,6H2,1-5H3,(H,14,18,20)(H,15,19,21)
InChIKeyPWTKHAFPNFYCIH-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.38
Rot. Bonds3

About 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 21468207) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID21468207
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(N1C(=O)NC(=O)C1(C)C)N1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C13H20N4O4/c1-6-7(16-10(20)14-8(18)12(16,2)3)17-11(21)15-9(19)13(17,4)5/h7H,6H2,1-5H3,(H,14,18,20)(H,15,19,21)
InChIKeyPWTKHAFPNFYCIH-UHFFFAOYSA-N
XLogP0.38
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 21468207) is 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is CCC(N1C(=O)NC(=O)C1(C)C)N1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is PWTKHAFPNFYCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-6-7(16-10(20)14-8(18)12(16,2)3)17-11(21)15-9(19)13(17,4)5/h7H,6H2,1-5H3,(H,14,18,20)(H,15,19,21).
What are the key properties of 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 21468207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).