5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

C12H14N2O4 — CID 3559619

IUPAC5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeyJXEXQYITISXIQL-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.76
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 3559619) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID3559619
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeyJXEXQYITISXIQL-UHFFFAOYSA-N
XLogP0.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.76
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-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 3559619) is 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)NC2=O)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JXEXQYITISXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-12(10(15)13-11(16)14-12)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 3559619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).