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Home > Imidazoles > 1421262-04-5
1421262-04-5 | 6-Cyano-2-(4-pyridyl)benzimidazole
CAS No: 1421262-04-5 Catalog No: AG01FE6V MDL No:MFCD22581241
Product Description
Catalog Number:
AG01FE6V
Chemical Name:
6-Cyano-2-(4-pyridyl)benzimidazole
CAS Number:
1421262-04-5
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
MDL Number:
MFCD22581241
IUPAC Name:
2-pyridin-4-yl-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C13H8N4/c14-8-9-1-2-11-12(7-9)17-13(16-11)10-3-5-15-6-4-10/h1-7H,(H,16,17)
InChI Key:
YVSAFCCYZKPWGE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(n2)c1ccncc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.235g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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