General Information of the Compound
Compound ID
CP0383595
Compound Name
5-(imidazol-1-ylmethyl)-2,3-diphenylpyridine
    Show/Hide
Structure
Formula
C21H17N3
Molecular Weight
311.388
Canonical SMILES
C(c1cnc(-c2ccccc2)c(c1)-c1ccccc1)n1ccnc1
    Show/Hide
InChI
InChI=1S/C21H17N3/c1-3-7-18(8-4-1)20-13-17(15-24-12-11-22-16-24)14-23-21(20)19-9-5-2-6-10-19/h1-14,16H,15H2
    Show/Hide
InChIKey
VOUNNULXUYBOJJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.6604
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
30.71
Hydrogen Bond Donor Count
0
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 67515869
ChEMBL ID
CHEMBL2011255
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
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 362 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 851 nM
   TI
   LI
   LO
   TS