General Information of the Compound
Compound ID
CP0294068
Compound Name
2-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carbonitrile
    Show/Hide
Structure
Formula
C13H8N4
Molecular Weight
220.235
Canonical SMILES
N#Cc1ccc2nc([nH]c2c1)-c1ccccn1
    Show/Hide
InChI
InChI=1S/C13H8N4/c14-8-9-4-5-10-12(7-9)17-13(16-10)11-3-1-2-6-15-11/h1-7H,(H,16,17)
    Show/Hide
InChIKey
JOPNJLSDCGCEFK-UHFFFAOYSA-N
Physicochemical Property
logP
2.49658
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
65.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11543088
SID: 16645200
ChEMBL ID
CHEMBL199806
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 32900 nM
   TI
   LI
   LO
   TS