CAS 1332357-14-8

5,5′-[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl-1H-benzimidazole]

Description:

The chemical substance with the name "5,5′-[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl-1H-benzimidazole]" and CAS number 1332357-14-8 is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups and stereocenters. This compound features a bis-benzimidazole framework, which is known for its potential biological activity, particularly in medicinal chemistry. The presence of fluorine atoms in its structure suggests enhanced lipophilicity and may influence its pharmacokinetic properties. The piperidine and pyrrolidine rings contribute to its conformational flexibility, which can be crucial for binding interactions with biological targets. Such compounds are often investigated for their potential therapeutic applications, including roles as inhibitors in various biochemical pathways. Overall, the specific arrangement of atoms and the presence of multiple heterocycles make this substance a subject of interest in drug discovery and development.

Formula: C₄₃H₄₃F₅N₈

InChI: InChI=1S/C43H43F5N8/c44-25-7-5-23(6-8-25)24-11-15-55(16-12-24)41-31(47)17-26(18-32(41)48)56-39(27-19-35-37(21-29(27)45)53-42(51-35)33-3-1-13-49-33)9-10-40(56)28-20-36-38(22-30(28)46)54-43(52-36)34-4-2-14-50-34/h5-8,17-22,24,33-34,39-40,49-50H,1-4,9-16H2,(H,51,53)(H,52,54)/t33-,34-,39+,40+/m0/s1

InChI key: InChIKey=AHCXCFSRGIJIRM-HVQZGMPCSA-N

SMILES: FC1=C([C@@H]2N([C@H](CC2)C=3C=C4C(=CC3F)N=C(N4)[C@@H]5CCCN5)C6=CC(F)=C(C(F)=C6)N7CCC(CC7)C8=CC=C(F)C=C8)C=C9C(=C1)N=C(N9)[C@@H]%10CCCN%10

Synonyms:

• (S)-6,6′-((2R,5R)-1-(3,5-Difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-((S)-pyrrolidin-2-yl)-1H-benzo[d]imidazole)
• 1H-Benzimidazole, 5,5′-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl-
• 5,5'-[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl-1H-benzimidazole]

Pibrentasvir Impurity 1

CAS: 1332357-14-8

Formula: C₄₃H₄₃F₅N₈

Molecular weight: 766.87

Ref: 4Z-P-363002

6,6'-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-((S)-pyrrolidin-2-yl)-1H-benzo[d]imidazole)

Controlled Product

CAS: 1332357-14-8

Formula: C₄₃H₄₃F₅N₈

Color and Shape: Neat

Molecular weight: 766.847

Ref: TR-D450903