1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one

C₁₅H₁₄BrN₃O — CID 116979206

About 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one

1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one (PubChem CID 116979206) has the molecular formula C₁₅H₁₄BrN₃O and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
• PubChem CID: 116979206
• Molecular Formula: C₁₅H₁₄BrN₃O
• Molecular Weight: 332.20 g/mol
• Exact Mass: 331.03
• IUPAC Name: 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
• SMILES: Nc1cccc(N2CC(c3ccc(Br)cc3)NC2=O)c1
• InChI: InChI=1S/C15H14BrN3O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-8,14H,9,17H2,(H,18,20)
• InChIKey: PSFXZHQEVXTFNG-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 58.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.20
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?

The IUPAC name of 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one (CID 116979206) is 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one.

What is the SMILES notation for 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?

The canonical SMILES for 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one is Nc1cccc(N2CC(c3ccc(Br)cc3)NC2=O)c1.

What is the InChIKey of 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?

The InChIKey is PSFXZHQEVXTFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-8,14H,9,17H2,(H,18,20).

What are the key properties of 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?

1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one is sourced from PubChem (CID 116979206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116979206 — identifiers, structure, computed properties (public domain)

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