3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C12H18N4O4 — CID 14494276

IUPAC3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2C(=O)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C12H18N4O4/c1-11(2)7(17)15(9(19)13-11)5-6-16-8(18)12(3,4)14-10(16)20/h5-6H2,1-4H3,(H,13,19)(H,14,20)
InChIKeyGSHQXFNTDJMJDX-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.35
Rot. Bonds3

About 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 14494276) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID14494276
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2C(=O)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C12H18N4O4/c1-11(2)7(17)15(9(19)13-11)5-6-16-8(18)12(3,4)14-10(16)20/h5-6H2,1-4H3,(H,13,19)(H,14,20)
InChIKeyGSHQXFNTDJMJDX-UHFFFAOYSA-N
XLogP-0.35
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 14494276) is 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2C(=O)NC(C)(C)C2=O)C1=O.
What is the InChIKey of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is GSHQXFNTDJMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-11(2)7(17)15(9(19)13-11)5-6-16-8(18)12(3,4)14-10(16)20/h5-6H2,1-4H3,(H,13,19)(H,14,20).
What are the key properties of 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 14494276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).