729-13-5 | 2-(4-Nitrophenyl)-1H-benzimidazole

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$142.00	$99.00
1g	97%	in stock	$179.00	$125.00
5g	97%	in stock	$586.00	$410.00
25g	97%	in stock	$2,636.00	$1,845.00

Description

• Catalog Number: AC51216
• Chemical Name: 2-(4-Nitrophenyl)-1H-benzimidazole
• CAS Number: 729-13-5
• Molecular Formula: C13H9N3O2
• Molecular Weight: 239.2295
• MDL Number: MFCD00225481
• SMILES: [O-][N+](=O)c1ccc(cc1)c1nc2c([nH]1)cccc2

Computed Properties

• Complexity: 310
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3.1

Literature

• Synthesis and QSAR evaluation of 2-(substituted phenyl)-1H-benzimidazoles and [2-(substituted phenyl)-benzimidazol-1-yl]-pyridin-3-yl-methanones.

  European journal of medicinal chemistry 20090301

• 1-(1H-Benzimidazol-2-yl)-4-nitro-benzene dimethyl-formamide solvate.

  Acta crystallographica. Section E, Structure reports online 20090301