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Home > Imidazoles > 102948-77-6
102948-77-6 | 1H-Benzimidazole, 1,1'-(1,2-ethanediyl)bis[2-(2-pyridinyl)-
CAS No: 102948-77-6 Catalog No: AG00866P MDL No:
Product Description
Catalog Number:
AG00866P
Chemical Name:
1H-Benzimidazole, 1,1'-(1,2-ethanediyl)bis[2-(2-pyridinyl)-
CAS Number:
102948-77-6
Molecular Formula:
C26H20N6
Molecular Weight:
416.4772
IUPAC Name:
2-pyridin-2-yl-1-[2-(2-pyridin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole
InChI:
InChI=1S/C26H20N6/c1-3-13-23-19(9-1)29-25(21-11-5-7-15-27-21)31(23)17-18-32-24-14-4-2-10-20(24)30-26(32)22-12-6-8-16-28-22/h1-16H,17-18H2
InChI Key:
BFVAZZBXAAYRQK-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1nc2c(n1CCn1c(nc3c1cccc3)c1ccccn1)cccc2
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.175g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.488g/mol
Monoisotopic Mass:
416.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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