Home Nitriles 2-(4-Cyanophenyl)-1H-benzo[d]imidazole-6-carbonitrile

2-(4-Cyanophenyl)-1H-benzo[d]imidazole-6-carbonitrile

CAS No.:
38224-22-5
Catalog Number:
AG01EVRJ
Molecular Formula:
C15H8N4
Molecular Weight:
244.2508
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$449
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Product Description
Catalog Number:
AG01EVRJ
Chemical Name:
2-(4-Cyanophenyl)-1H-benzo[d]imidazole-6-carbonitrile
CAS Number:
38224-22-5
Molecular Formula:
C15H8N4
Molecular Weight:
244.2508
MDL Number:
MFCD07782940
IUPAC Name:
2-(4-cyanophenyl)-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C15H8N4/c16-8-10-1-4-12(5-2-10)15-18-13-6-3-11(9-17)7-14(13)19-15/h1-7H,(H,18,19)
InChI Key:
JNLJKTGFGYSDIO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C#N
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.257g/mol
Monoisotopic Mass:
244.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties