5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione

C17H15N3O2 — CID 5168360

IUPAC5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione
SMILESCc1ccc(/N=C/C2C(=O)NC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-12-7-9-13(10-8-12)18-11-15-16(21)19-17(22)20(15)14-5-3-2-4-6-14/h2-11,15H,1H3,(H,19,21,22)/b18-11+
InChIKeyKGRCCFMJYKPJGZ-WOJGMQOQSA-N
MW293.33 g/mol
LogP2.82
Rot. Bonds3

About 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione

5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione (PubChem CID 5168360) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione
PubChem CID5168360
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione
SMILESCc1ccc(/N=C/C2C(=O)NC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2/c1-12-7-9-13(10-8-12)18-11-15-16(21)19-17(22)20(15)14-5-3-2-4-6-14/h2-11,15H,1H3,(H,19,21,22)/b18-11+
InChIKeyKGRCCFMJYKPJGZ-WOJGMQOQSA-N
XLogP2.82
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione (CID 5168360) is 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione is Cc1ccc(/N=C/C2C(=O)NC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione?
The InChIKey is KGRCCFMJYKPJGZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-7-9-13(10-8-12)18-11-15-16(21)19-17(22)20(15)14-5-3-2-4-6-14/h2-11,15H,1H3,(H,19,21,22)/b18-11+.
What are the key properties of 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione?
5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione has a molecular weight of 293.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)iminomethyl]-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 5168360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).