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Home > Imidazoles > 137961-54-7
137961-54-7 | Phenol, 4,4'-[oxybis(1H-benzimidazole-5,2-diyl)]bis- (9CI)
CAS No: 137961-54-7 Catalog No: AG0017QC MDL No:
Product Description
Catalog Number:
AG0017QC
Chemical Name:
Phenol, 4,4'-[oxybis(1H-benzimidazole-5,2-diyl)]bis- (9CI)
CAS Number:
137961-54-7
Molecular Formula:
C26H18N4O3
Molecular Weight:
434.4461
IUPAC Name:
4-[6-[[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]phenol
InChI:
InChI=1S/C26H18N4O3/c31-17-5-1-15(2-6-17)25-27-21-11-9-19(13-23(21)29-25)33-20-10-12-22-24(14-20)30-26(28-22)16-3-7-18(32)8-4-16/h1-14,31-32H,(H,27,29)(H,28,30)
InChI Key:
NZYRSGJACFMBOK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Oc1ccc2c(c1)nc([nH]2)c1ccc(cc1)O
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.138g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
434.455g/mol
Monoisotopic Mass:
434.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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