Fluorophenylbenzimidazolylpiperidinobutanone

Identification

Molecular formula

C₂₂H₂₄FN₃OS

CAS number

2387497-92-3

IUPAC name

1-(4-fluorophenyl)-4-[4-(2-sulfanylbenzimidazol-1-yl)-1-piperidyl]butan-1-one

State

This compound is typically in a solid state at room temperature and atmospheric pressure, often found as a crystalline powder.

Melting point (Celsius)

253.50

Melting point (Kelvin)

526.65

Boiling point (Celsius)

575.35

Boiling point (Kelvin)

848.50

General information

Molecular weight

422.55g/mol

Molar mass

422.5500g/mol

Density

1.3203g/cm³

Appearence

This compound appears as a crystalline solid that may be white or off-white in color, typically seen in powdered form. The precise appearance can be subject to variations based on its purity and the specific synthesis route utilized.

Comment on solubility

Solubility of 1-(4-fluorophenyl)-4-[4-(2-sulfanylbenzimidazol-1-yl)-1-piperidyl]butan-1-one

The compound 1-(4-fluorophenyl)-4-[4-(2-sulfanylbenzimidazol-1-yl)-1-piperidyl]butan-1-one, with the chemical formula C₂₂H₂₄FN₃OS, presents interesting solubility characteristics influenced by its complex structure. The diverse functional groups within the molecule play a crucial role in its solubility profile.

Factors Influencing Solubility:

Polarity: The presence of polar functional groups, such as the sulfanil group, may enhance solubility in polar solvents.
Aromatic Rings: The fluorophenyl and benzimidazole moieties could contribute hydrophobic interactions, making the compound more soluble in non-polar solvents.
Hydrogen Bonding: The ability to form hydrogen bonds with solvents can also significantly impact solubility, particularly in polar solvents like water.

As a general observation, compounds that exhibit both hydrophilic (polar) and hydrophobic (non-polar) characteristics often demonstrate solubility in a range of solvents, including:

Water
Alcohols
Organic solvents (like DMSO or acetone)

However, due to its complex structure, the solubility of this compound remains variable and should be experimentally determined for specific solvent systems. It is essential to note that solubility can be affected by factors such as temperature, pH, and solvent composition. Understanding these aspects can provide valuable insights for applications in drug formulation and other chemical processes.

Interesting facts

1-(4-Fluorophenyl)-4-[4-(2-sulfanylbenzimidazol-1-yl)-1-piperidyl]butan-1-one

This intriguing compound showcases the fascinating interplay of pharmaceuticals and synthetic chemistry. Here are some notable aspects of this compound:

Pharmaceutical Relevance: The presence of a fluorophenyl group indicates potential activity in various biological pathways, as fluorinated compounds often possess unique pharmacokinetic properties.
Benzimidazole Framework: The inclusion of a benzimidazole moiety is significant. This structure is known for its biological activity, including anti-cancer and anti-inflammatory effects, making this compound an interesting candidate for further research.
Diverse Functionalities: The molecule features multiple functional groups, including a piperidine and a thio group, which can enhance its reactivity and biological interaction. This versatility allows for fine-tuning of its properties.
Research Potential: Ongoing studies in medicinal chemistry often explore similar compounds for their potential use as therapeutics against diseases, particularly in developing treatments for complex targets.
Synthesis Challenges: The synthetic route to assemble such a complex structure likely involves multiple steps, including substitution and coupling reactions, which may present challenges that require careful optimization.

In summary, 1-(4-fluorophenyl)-4-[4-(2-sulfanylbenzimidazol-1-yl)-1-piperidyl]butan-1-one is not only a prime example of a modern organic synthesis but also has the potential to be a valuable asset in drug discovery and development. Its intricate structure invites further investigation and highlights the endless possibilities within the field of medicinal chemistry.