Mephenytoin

C₁₂H₁₄N₂O₂ — CID 4060

About Mephenytoin

Mephenytoin (PubChem CID 4060) has the molecular formula C₁₂H₁₄N₂O₂ and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: Mephenytoin
• PubChem CID: 4060
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.26 g/mol
• Exact Mass: 218.11
• IUPAC Name: 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione
• SMILES: CCC1(c2ccccc2)NC(=O)N(C)C1=O
• InChI: InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
• InChIKey: GMHKMTDVRCWUDX-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.26
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Mephenytoin?

The IUPAC name of Mephenytoin (CID 4060) is 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione.

What is the SMILES notation for Mephenytoin?

The canonical SMILES for Mephenytoin is CCC1(c2ccccc2)NC(=O)N(C)C1=O.

What is the InChIKey of Mephenytoin?

The InChIKey is GMHKMTDVRCWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16).

What are the key properties of Mephenytoin?

Mephenytoin has a molecular weight of 218.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Mephenytoin is sourced from PubChem (CID 4060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4060 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1695 — approved-drug record (CC BY-SA 4.0)

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