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

C12H18N4O4 — CID 70146274

IUPAC1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCN2C(=O)N(C)C(C)(C)C2=O)C1=O
InChIInChI=1S/C12H18N4O4/c1-12(2)9(18)16(11(20)14(12)4)6-5-15-8(17)7-13(3)10(15)19/h5-7H2,1-4H3
InChIKeyWMWQIBQBURZKKR-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.45
Rot. Bonds3

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

1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 70146274) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID70146274
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCN2C(=O)N(C)C(C)(C)C2=O)C1=O
InChIInChI=1S/C12H18N4O4/c1-12(2)9(18)16(11(20)14(12)4)6-5-15-8(17)7-13(3)10(15)19/h5-7H2,1-4H3
InChIKeyWMWQIBQBURZKKR-UHFFFAOYSA-N
XLogP-0.45
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
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-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione (CID 70146274) is 1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione is CN1CC(=O)N(CCN2C(=O)N(C)C(C)(C)C2=O)C1=O.
What is the InChIKey of 1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is WMWQIBQBURZKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-12(2)9(18)16(11(20)14(12)4)6-5-15-8(17)7-13(3)10(15)19/h5-7H2,1-4H3.
What are the key properties of 1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione?
1,5,5-trimethyl-3-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of -0.45, 3 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-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70146274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).