4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile

C21H17N5O3 — CID 55602325

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

4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile (PubChem CID 55602325) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
• PubChem CID: 55602325
• Molecular Formula: C21H17N5O3
• Molecular Weight: 387.40 g/mol
• Exact Mass: 387.13
• IUPAC Name: 4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
• SMILES: Cc1ccc(-c2nnc(CN3C(=O)NC(C)(c4ccc(C#N)cc4)C3=O)o2)cc1
• InChI: InChI=1S/C21H17N5O3/c1-13-3-7-15(8-4-13)18-25-24-17(29-18)12-26-19(27)21(2,23-20(26)28)16-9-5-14(11-22)6-10-16/h3-10H,12H2,1-2H3,(H,23,28)
• InChIKey: CVJQIOKRMHVUBJ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 112.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.40
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile (CID 55602325) is 4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile.

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

The canonical SMILES for 4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile is Cc1ccc(-c2nnc(CN3C(=O)NC(C)(c4ccc(C#N)cc4)C3=O)o2)cc1.

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

The InChIKey is CVJQIOKRMHVUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-13-3-7-15(8-4-13)18-25-24-17(29-18)12-26-19(27)21(2,23-20(26)28)16-9-5-14(11-22)6-10-16/h3-10H,12H2,1-2H3,(H,23,28).

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

4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile has a molecular weight of 387.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 55602325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).