2-[[1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]benzimidazol-5-yl]-内页标题

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2-[[1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]benzimidazol-5-yl]

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摘 要: 2-[[1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]benzimidazol-5-yl],iminomethyl]phenol,Canonical SMILES: C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)N=CC5=CC=CC=C5O)O,InChI: InChI=1/C27H20N4O2/c32-26-7-3-1-5-19(26)16-28-21-9-12-23(13-10-21)31
[Synonyms]

[Structure]
 2-[[1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]benzimidazol-5-yl]

[ Properties Computed from Structure]
Molecular Weight432.4733 [g/mol]
Molecular FormulaC27H20N4O2
XLogP5.1
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count5
Tautomer Count16
Exact Mass432.158626
MonoIsotopic Mass432.158626
Topological Polar Surface Area83
Heavy Atom Count33
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[[1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]benzimidazol-5-yl]
iminomethyl]phenol
Canonical SMILES: C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)N=CC5=CC=CC=C5O)O
InChI: InChI=1/C27H20N4O2/c32-26-7-3-1-5-19(26)16-28-21-9-12-23(13-10-21)31-18-
30-24-15-22(11-14-25(24)31)29-17-20-6-2-4-8-27(20)33/h1-18,
32-33H/b28-16+,29-17+

 
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