2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

C20H19BrClN3O5 — CID 46665897

About 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (PubChem CID 46665897) has the molecular formula C20H19BrClN3O5 and a molecular weight of 496.75 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
• PubChem CID: 46665897
• Molecular Formula: C20H19BrClN3O5
• Molecular Weight: 496.75 g/mol
• Exact Mass: 495.02
• IUPAC Name: 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
• SMILES: COc1cc(OC)c(NC(=O)CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)cc1Cl
• InChI: InChI=1S/C20H19BrClN3O5/c1-20(11-5-4-6-12(21)7-11)18(27)25(19(28)24-20)10-17(26)23-14-8-13(22)15(29-2)9-16(14)30-3/h4-9H,10H2,1-3H3,(H,23,26)(H,24,28)
• InChIKey: JDGXHLINLZYPRN-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.75
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
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 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?

The IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (CID 46665897) is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

What is the SMILES notation for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?

The canonical SMILES for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is COc1cc(OC)c(NC(=O)CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)cc1Cl.

What is the InChIKey of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?

The InChIKey is JDGXHLINLZYPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O5/c1-20(11-5-4-6-12(21)7-11)18(27)25(19(28)24-20)10-17(26)23-14-8-13(22)15(29-2)9-16(14)30-3/h4-9H,10H2,1-3H3,(H,23,26)(H,24,28).

What are the key properties of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide has a molecular weight of 496.75 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 46665897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).