1-benzyl-5,5-dimethylimidazolidine-2,4-dione

C12H14N2O2 — CID 4601988

IUPAC1-benzyl-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-12(2)10(15)13-11(16)14(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyANJDRZRBNJJLRW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.52
Rot. Bonds2

About 1-benzyl-5,5-dimethylimidazolidine-2,4-dione

1-benzyl-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 4601988) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-benzyl-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5,5-dimethylimidazolidine-2,4-dione
PubChem CID4601988
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-benzyl-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-12(2)10(15)13-11(16)14(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyANJDRZRBNJJLRW-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-5,5-dimethylimidazolidine-2,4-dione (CID 4601988) is 1-benzyl-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ANJDRZRBNJJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2)10(15)13-11(16)14(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15,16).
What are the key properties of 1-benzyl-5,5-dimethylimidazolidine-2,4-dione?
1-benzyl-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 4601988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).