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Home Other Building Blocks 2-(Chloromethyl)benzimidazole

2-(Chloromethyl)benzimidazole

CAS No.:
4857-04-9
Catalog Number:
AG003H2N
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$23
- +
25g
96%
In Stock USA
United States
$75
- +
100g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003H2N
Chemical Name:
2-(Chloromethyl)benzimidazole
CAS Number:
4857-04-9
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD00005602
IUPAC Name:
2-(chloromethyl)-1H-benzimidazole
InChI:
InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)
InChI Key:
SPMLMLQATWNZEE-UHFFFAOYSA-N
SMILES:
ClCc1nc2c([nH]1)cccc2
EC Number:
225-452-8
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and biological evaluation of novel benzimidazole derivatives and their binding behavior with bovine serum albumin. European journal of medicinal chemistry 20120901
Molecular structure of 2-chloromethyl-1H-benzimidazole hydrochloride: single crystal, spectral, biological studies, and DFT calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201
4-(1H-Benzimidazol-2-ylmeth-oxy)-3-meth-oxy-benzaldehyde tetra-hydrate. Acta crystallographica. Section E, Structure reports online 20110801
1-Tosyl-2-[(1-tosyl-1H-benzimidazol-2-yl)methyl-sulfanyl]-1H-benzimidazole. Acta crystallographica. Section E, Structure reports online 20110501
Novel benzimidazole-pyrimidine conjugates as potent antitumor agents. European journal of medicinal chemistry 20100601
In-vivo analgesic and anti-inflammatory activities of newly synthesized benzimidazole derivatives. European journal of medicinal chemistry 20100501
2-(Chloro-meth-yl)benzimidazolium chloride. Acta crystallographica. Section E, Structure reports online 20090501
1H-Benzimidazol-2-ylmethyl phenyl ether. Acta crystallographica. Section E, Structure reports online 20090401
Synthesis and acid-base properties of (1H-benzimidazol-2-yl-methyl)phosphonate (Bimp2-). Evidence for intramolecular hydrogen-bond formation in aqueous solution between (N-1)H and the phosphonate group. Organic & biomolecular chemistry 20030521
Properties