5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione

C21H20N4O3 — CID 43047103

About 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione

5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 43047103) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 43047103
• Molecular Formula: C21H20N4O3
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.15
• IUPAC Name: 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
• SMILES: Cc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(C)cc4)C3=O)no2)cc1
• InChI: InChI=1S/C21H20N4O3/c1-13-4-8-15(9-5-13)18-22-17(24-28-18)12-25-19(26)21(3,23-20(25)27)16-10-6-14(2)7-11-16/h4-11H,12H2,1-3H3,(H,23,27)
• InChIKey: YOXKFWFLEFQLBM-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione (CID 43047103) is 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(C)cc4)C3=O)no2)cc1.

What is the InChIKey of 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is YOXKFWFLEFQLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-4-8-15(9-5-13)18-22-17(24-28-18)12-25-19(26)21(3,23-20(25)27)16-10-6-14(2)7-11-16/h4-11H,12H2,1-3H3,(H,23,27).

What are the key properties of 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione?

5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 376.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 43047103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).