3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione

C13H16N2O3 — CID 103935477

IUPAC3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-18-8-7-14-10-12(16)15(13(14)17)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyOTLQGUBZJYUDPT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.10
Rot. Bonds5

About 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione

3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 103935477) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID103935477
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-18-8-7-14-10-12(16)15(13(14)17)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyOTLQGUBZJYUDPT-UHFFFAOYSA-N
XLogP1.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione (CID 103935477) is 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is OTLQGUBZJYUDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-8-7-14-10-12(16)15(13(14)17)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 103935477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).