2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide

Base Information

• Chemical Name: 2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide
• CAS No.: 934162-61-5
• Molecular Formula: C18H17FN4O
• Molecular Weight: 324.35
• ChEMBL ID: CHEMBL1090467
• DSSTox Substance ID: DTXSID50586581
• Pharos Ligand ID: DHM5FWCX7TSW
• Wikidata: Q72433928
• Mol file: 934162-61-5.mol

Synonyms:2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide;A 966492;A-966492;A966492

Chemical Property of 2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide

Chemical Property:

• PSA: 84.79000
• Density: 1.335
• LogP: 4.10540
• Solubility.: ≥32.4 mg/mL in DMSO; ≥16.53 mg/mL in H2O with ultrasonic; ≥3.16 mg/mL in EtOH with gentle warming and ultrasonic
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 324.13863934
• Heavy Atom Count: 24
• Complexity: 476

Purity/Quality:

98% min ^*data from raw suppliers

2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)C2=CC(=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)F
• Isomeric SMILES: C1C[C@H](NC1)C2=CC(=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)F