Home Nitriles 4-(Imidazol-1-ylmethyl)benzonitrile

4-(Imidazol-1-ylmethyl)benzonitrile

CAS No.:
112809-54-8
Catalog Number:
AG008TUG
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$250
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG008TUG
Chemical Name:
4-(Imidazol-1-ylmethyl)benzonitrile
CAS Number:
112809-54-8
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD08060525
IUPAC Name:
4-(imidazol-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
InChI Key:
LUSFCTSUDCCYLQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cn1cncc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and structure-activity relationship of 1- and 2-substituted-1,2,3-triazole letrozole-based analogues as aromatase inhibitors. European journal of medicinal chemistry 20110901
Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). Journal of medicinal chemistry 20100225
Synthesis and biochemical evaluation of a range of sulfonated derivatives of 4-hydroxybenzyl imidazole as highly potent inhibitors of rat testicular 17alpha-hydroxylase/17,20-lyase (P-450(17alpha)). Bioorganic & medicinal chemistry letters 20090815
Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)). Bioorganic & medicinal chemistry letters 20060801
Design and synthesis of potent nonpeptidic farnesyltransferase inhibitors based on a terphenyl scaffold. Journal of medicinal chemistry 20020103
Fadrozole hydrochloride: a potent, selective, nonsteroidal inhibitor of aromatase for the treatment of estrogen-dependent disease. Journal of medicinal chemistry 19910201
Properties