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Home > Imidazoles > 137961-52-5

137961-52-5

137961-52-5 | Phenol, 4,4'-[6,6'-bi-1H-benzimidazole]-2,2'-diylbis-

CAS No: 137961-52-5 Catalog No: AG0017QD MDL No:

Product Description

Catalog Number:
AG0017QD
Chemical Name:
Phenol, 4,4'-[6,6'-bi-1H-benzimidazole]-2,2'-diylbis-
CAS Number:
137961-52-5
Molecular Formula:
C26H18N4O2
Molecular Weight:
418.4467
IUPAC Name:
4-[6-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
InChI:
InChI=1S/C26H18N4O2/c31-19-7-1-15(2-8-19)25-27-21-11-5-17(13-23(21)29-25)18-6-12-22-24(14-18)30-26(28-22)16-3-9-20(32)10-4-16/h1-14,31-32H,(H,27,29)(H,28,30)
InChI Key:
LUIYJLIHLJLIPT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)c1ccc2c(c1)[nH]c(n2)c1ccc(cc1)O

Properties

Complexity:
579  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.143g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
418.456g/mol
Monoisotopic Mass:
418.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

Literature

Title Journal
Antibacterial activity of head-to-head bis-benzimidazoles. International journal of antimicrobial agents 20131001

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