N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C23H22Cl2N4O3 — CID 46583164

About N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 46583164) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
• PubChem CID: 46583164
• Molecular Formula: C23H22Cl2N4O3
• Molecular Weight: 473.36 g/mol
• Exact Mass: 472.11
• IUPAC Name: N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(N(CCC#N)C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cc1C
• InChI: InChI=1S/C23H22Cl2N4O3/c1-14-5-7-17(11-15(14)2)28(10-4-9-26)20(30)13-29-21(31)23(3,27-22(29)32)18-8-6-16(24)12-19(18)25/h5-8,11-12H,4,10,13H2,1-3H3,(H,27,32)
• InChIKey: SSANFHCGVJIOMB-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 93.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.36
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

The IUPAC name of N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 46583164) is N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

The canonical SMILES for N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(N(CCC#N)C(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cc1C.

What is the InChIKey of N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

The InChIKey is SSANFHCGVJIOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c1-14-5-7-17(11-15(14)2)28(10-4-9-26)20(30)13-29-21(31)23(3,27-22(29)32)18-8-6-16(24)12-19(18)25/h5-8,11-12H,4,10,13H2,1-3H3,(H,27,32).

What are the key properties of N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?

N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 473.36 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 46583164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).