5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione

C11H10N2O4 — CID 584746

IUPAC5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc3c(c2)OCO3)N1
InChIInChI=1S/C11H10N2O4/c14-10-7(12-11(15)13-10)3-6-1-2-8-9(4-6)17-5-16-8/h1-2,4,7H,3,5H2,(H2,12,13,14,15)
InChIKeyWSZBBVMTNYGMIL-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.17
Rot. Bonds2

About 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione

5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 584746) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID584746
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc3c(c2)OCO3)N1
InChIInChI=1S/C11H10N2O4/c14-10-7(12-11(15)13-10)3-6-1-2-8-9(4-6)17-5-16-8/h1-2,4,7H,3,5H2,(H2,12,13,14,15)
InChIKeyWSZBBVMTNYGMIL-UHFFFAOYSA-N
XLogP0.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.17
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-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione (CID 584746) is 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc3c(c2)OCO3)N1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is WSZBBVMTNYGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10-7(12-11(15)13-10)3-6-1-2-8-9(4-6)17-5-16-8/h1-2,4,7H,3,5H2,(H2,12,13,14,15).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 234.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 584746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).