5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione

C17H16N2O2 — CID 12790757

IUPAC5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-18-15(12-13-8-4-2-5-9-13)16(20)19(17(18)21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyOPLLZCNUBQOOOJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.70
Rot. Bonds3

About 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione

5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione (PubChem CID 12790757) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
PubChem CID12790757
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-18-15(12-13-8-4-2-5-9-13)16(20)19(17(18)21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyOPLLZCNUBQOOOJ-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione (CID 12790757) is 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione is CN1C(=O)N(c2ccccc2)C(=O)C1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione?
The InChIKey is OPLLZCNUBQOOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-18-15(12-13-8-4-2-5-9-13)16(20)19(17(18)21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione?
5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 12790757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).