General Information of the Compound
Compound ID
CP0388882
Compound Name
6-fluoro-2-pyridin-3-yl-1H-benzimidazole
    Show/Hide
Structure
Formula
C12H8FN3
Molecular Weight
213.215
Canonical SMILES
Fc1ccc2nc([nH]c2c1)-c1cccnc1
    Show/Hide
InChI
InChI=1S/C12H8FN3/c13-9-3-4-10-11(6-9)16-12(15-10)8-2-1-5-14-7-8/h1-7H,(H,15,16)
    Show/Hide
InChIKey
AFHVBLBYODZPNF-UHFFFAOYSA-N
Physicochemical Property
logP
2.764
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 44203017
ChEMBL ID
CHEMBL3582448
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1987 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS