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2002-G12

CAT: 0013-GTR19249831-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249831-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2002-G12 (compound 5a) is a small molecule inhibitor of Aβ42 aggregation, shown to reduce associated toxicity by 76%. It is a useful research tool for investigating Alzheimer's disease mechanisms in both in vitro and in vivo experimental models.
CAS Number
313666-93-2
Field of Research
Neuroscience
Smiles
N=1C2=CC=C (N) C=C2NC1C=3C=CC=CC3C4=NC=5C=CC (N) =CC5N4
Molecular Formula
C20H16N6
Molecular Weight
340.381
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
CAS Number313666-93-2
PubChem CID767318
IUPAC Name2-[2-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
Molecular FormulaC20H16N6
Molecular Weight340.4
XLogP3
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity457
SMILES
C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N
InChI
InChI=1S/C20H16N6/c21-11-5-7-15-17(9-11)25-19(23-15)13-3-1-2-4-14(13)20-24-16-8-6-12(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)
InChIKey
ZJSIITUXTQETKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
CAS: 313666-93-2
CID: 767318
Formula: C20H16N6
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass340.14364454
Monoisotopic Mass340.14364454
Topological Polar Surface Area109 Ų
Heavy Atom Count26
Formal Charge0
Complexity457
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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