5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione

C11H20N4O2 — CID 43162333

IUPAC5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCNCC2)C1=O
InChIInChI=1S/C11H20N4O2/c1-11(2)9(16)15(10(17)13-11)8-7-14-5-3-12-4-6-14/h12H,3-8H2,1-2H3,(H,13,17)
InChIKeyHOMQSUJGLQEQHS-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.78
Rot. Bonds3

About 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 43162333) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID43162333
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCNCC2)C1=O
InChIInChI=1S/C11H20N4O2/c1-11(2)9(16)15(10(17)13-11)8-7-14-5-3-12-4-6-14/h12H,3-8H2,1-2H3,(H,13,17)
InChIKeyHOMQSUJGLQEQHS-UHFFFAOYSA-N
XLogP-0.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.78
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 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione (CID 43162333) is 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCNCC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is HOMQSUJGLQEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2)9(16)15(10(17)13-11)8-7-14-5-3-12-4-6-14/h12H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43162333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).