1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione

C12H14N2O3 — CID 2412772

IUPAC1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCOc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-13-9-11(15)14(12(13)16)7-8-17-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyIHWLAMZKBHJUTI-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.96
Rot. Bonds4

About 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione

1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione (PubChem CID 2412772) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
PubChem CID2412772
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCOc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O3/c1-13-9-11(15)14(12(13)16)7-8-17-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyIHWLAMZKBHJUTI-UHFFFAOYSA-N
XLogP0.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.96
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 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione (CID 2412772) is 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione is CN1CC(=O)N(CCOc2ccccc2)C1=O.
What is the InChIKey of 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
The InChIKey is IHWLAMZKBHJUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-9-11(15)14(12(13)16)7-8-17-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione?
1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2412772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).