General Information of the Compound
Compound ID
CP0132641
Compound Name
2-[3-(1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridine
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Structure
Formula
C20H14N4
Molecular Weight
310.36
Canonical SMILES
c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
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InChI
InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)
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InChIKey
GXKGMHZDCDTBEX-UHFFFAOYSA-N
Physicochemical Property
logP
4.5446
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
45.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 56925547
SID: 135607767
ChEMBL ID
CHEMBL1923751
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01020, Beta-secretase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
EC50 = 1550 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 961 nM
2 Ki = 926 nM