3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C13H16N2O3 — CID 12955652

IUPAC3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-13(2)11(16)15(12(17)14-13)8-9-5-4-6-10(7-9)18-3/h4-7H,8H2,1-3H3,(H,14,17)
InChIKeyBQSXYFUJYGHYML-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.53
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 12955652) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID12955652
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C13H16N2O3/c1-13(2)11(16)15(12(17)14-13)8-9-5-4-6-10(7-9)18-3/h4-7H,8H2,1-3H3,(H,14,17)
InChIKeyBQSXYFUJYGHYML-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
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-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 12955652) is 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(CN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is BQSXYFUJYGHYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2)11(16)15(12(17)14-13)8-9-5-4-6-10(7-9)18-3/h4-7H,8H2,1-3H3,(H,14,17).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 12955652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).