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HOE 32021

CAT: 0607-C8579-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C8579-50Size:50 mg
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CAS Number
23623-06-5
Molecular Formula
C26H26N6O
Molecular Weight
438.52
Storage Conditions
Store at -20°C away from light.
Physical Properties
A solid

Chemical Information

Hoe 32021
CAS Number23623-06-5
PubChem CID10071840
IUPAC Name2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
Molecular FormulaC26H26N6O
Molecular Weight438.5
XLogP4.3
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity649
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OC
InChI
InChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)19-6-10-22-24(16-19)30-26(28-22)18-5-9-21-23(15-18)29-25(27-21)17-3-7-20(33-2)8-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
ZEEIKPHYGCYRRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hoe 32021
CAS: 23623-06-5
CID: 10071840
Formula: C26H26N6O
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass438.21680947
Monoisotopic Mass438.21680947
Topological Polar Surface Area73.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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