General Information of the Compound
Compound ID
CP0152531
Compound Name
1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-methylpiperidin-4-amine
    Show/Hide
Structure
Formula
C20H23FN4
Molecular Weight
338.43
Canonical SMILES
CNC1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C20H23FN4/c1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14H2,1H3
    Show/Hide
InChIKey
LDMXQNXCFMLIER-UHFFFAOYSA-N
Physicochemical Property
logP
3.4119
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
33.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 15595033
ChEMBL ID
CHEMBL549599
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000386 Flp-In-CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000386 Flp-In-CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 988 nM
   TI
   LI
   LO
   TS