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

C11H16N4O4 — CID 716765

IUPAC1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H16N4O4/c1-10(2)6(16)12-8(18)14(10)5-15-9(19)13-7(17)11(15,3)4/h5H2,1-4H3,(H,12,16,18)(H,13,17,19)
InChIKeyXFFVMMHIMRQJPG-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.40
Rot. Bonds2

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

1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 716765) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID716765
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H16N4O4/c1-10(2)6(16)12-8(18)14(10)5-15-9(19)13-7(17)11(15,3)4/h5H2,1-4H3,(H,12,16,18)(H,13,17,19)
InChIKeyXFFVMMHIMRQJPG-UHFFFAOYSA-N
XLogP-0.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.40
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 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 716765) is 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CN1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XFFVMMHIMRQJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-10(2)6(16)12-8(18)14(10)5-15-9(19)13-7(17)11(15,3)4/h5H2,1-4H3,(H,12,16,18)(H,13,17,19).
What are the key properties of 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 716765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).