200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 666180-93-4
666180-93-4 | 6-Cyano-2-(3-pyridyl)benzimidazole
CAS No: 666180-93-4 Catalog No: AG01EWU7 MDL No:
Product Description
Catalog Number:
AG01EWU7
Chemical Name:
6-Cyano-2-(3-pyridyl)benzimidazole
CAS Number:
666180-93-4
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
IUPAC Name:
2-pyridin-3-yl-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C13H8N4/c14-7-9-3-4-11-12(6-9)17-13(16-11)10-2-1-5-15-8-10/h1-6,8H,(H,16,17)
InChI Key:
QKPXUMIVPSLKGY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(n2)c1cccnc1
Properties
Complexity:
321
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:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.