2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C24H28ClN5O4 — CID 55446242

About 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55446242) has the molecular formula C24H28ClN5O4 and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 55446242
• Molecular Formula: C24H28ClN5O4
• Molecular Weight: 485.97 g/mol
• Exact Mass: 485.18
• IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1cccc(C2(C)NC(=O)N(NC(=O)CN3CCN(Cc4cccc(Cl)c4)CC3)C2=O)c1
• InChI: InChI=1S/C24H28ClN5O4/c1-24(18-6-4-8-20(14-18)34-2)22(32)30(23(33)26-24)27-21(31)16-29-11-9-28(10-12-29)15-17-5-3-7-19(25)13-17/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,33)(H,27,31)
• InChIKey: QDGOSNOPSDBICS-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.97
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
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 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55446242) is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1cccc(C2(C)NC(=O)N(NC(=O)CN3CCN(Cc4cccc(Cl)c4)CC3)C2=O)c1.

What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is QDGOSNOPSDBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O4/c1-24(18-6-4-8-20(14-18)34-2)22(32)30(23(33)26-24)27-21(31)16-29-11-9-28(10-12-29)15-17-5-3-7-19(25)13-17/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,33)(H,27,31).

What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 485.97 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55446242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).