1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione

C12H18N4O4 — CID 18459280

IUPAC1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC(N1C(=O)CN(C)C1=O)N1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C12H18N4O4/c1-7(15-8(17)6-13(4)10(15)19)16-9(18)12(2,3)14(5)11(16)20/h7H,6H2,1-5H3
InChIKeyMISBWPACTAXPGH-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.10
Rot. Bonds2

About 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione

1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 18459280) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID18459280
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC(N1C(=O)CN(C)C1=O)N1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C12H18N4O4/c1-7(15-8(17)6-13(4)10(15)19)16-9(18)12(2,3)14(5)11(16)20/h7H,6H2,1-5H3
InChIKeyMISBWPACTAXPGH-UHFFFAOYSA-N
XLogP-0.10
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Methylenebis(5,5-dimethylimidazolidine-2,4-dione)
CID 226793
Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-dimethyl-
CID 98587
3-[6-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)hexyl]-5,5-dimethylimidazolidine-2,4-dione
CID 342023
3-Tert-butyl-1,5,5-trimethylimidazolidine-2,4-dione
CID 12399725
1,1'-Methylenebis(5,5-dimethylimidazolidine-2,4-dione)
CID 716765
3-Tert-butyl-1-methylimidazolidine-2,4-dione
CID 16093104
5,5-Dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 47013852
1,4-Bis(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butane
CID 598298
3-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium dichloride
CID 172464915
1-Tert-butyl-3-methylimidazolidin-2,4-dione
CID 21862191
3-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium
CID 54587422
1,3-Bis(2-cyanoethyl)-4,4-dimethyl-2,5-dioxoimidazolidine
CID 606527

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione (CID 18459280) is 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione is CC(N1C(=O)CN(C)C1=O)N1C(=O)N(C)C(C)(C)C1=O.
What is the InChIKey of 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is MISBWPACTAXPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7(15-8(17)6-13(4)10(15)19)16-9(18)12(2,3)14(5)11(16)20/h7H,6H2,1-5H3.
What are the key properties of 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-3-[1-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18459280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).