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Home > Imidazoles > 648415-45-6
648415-45-6 | 1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-(2-pyrimidinyl)-
CAS No: 648415-45-6 Catalog No: AG006TP4 MDL No:
Product Description
Catalog Number:
AG006TP4
Chemical Name:
1H-Benzimidazole, 2,2'-(1,4-butanediyl)bis[5-(2-pyrimidinyl)-
CAS Number:
648415-45-6
Molecular Formula:
C26H22N8
Molecular Weight:
446.5065
IUPAC Name:
6-pyrimidin-2-yl-2-[4-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
InChI:
InChI=1S/C26H22N8/c1(5-23-31-19-9-7-17(15-21(19)33-23)25-27-11-3-12-28-25)2-6-24-32-20-10-8-18(16-22(20)34-24)26-29-13-4-14-30-26/h3-4,7-16H,1-2,5-6H2,(H,31,33)(H,32,34)
InChI Key:
BBQABVZXHLVNTG-UHFFFAOYSA-N
SMILES:
c1cnc(nc1)c1ccc2c(c1)nc([nH]2)CCCCc1nc2c([nH]1)ccc(c2)c1ncccn1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.197g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
446.518g/mol
Monoisotopic Mass:
446.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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