General Information of the Compound
Compound ID
CP0848089
Compound Name
4-(4-pyrrolidin-1-yl-butyl)-1H-imidazole
    Show/Hide
Structure
Formula
C11H19N3
Molecular Weight
193.294
Canonical SMILES
c1nc(CCCCN2CCCC2)c[nH]1
    Show/Hide
InChI
InChI=1S/C11H19N3/c1(5-11-9-12-10-13-11)2-6-14-7-3-4-8-14/h9-10H,1-8H2,(H,12,13)
    Show/Hide
InChIKey
MFUXHAFVFJVNEU-UHFFFAOYSA-N
Physicochemical Property
logP
1.8282
Rotatable Bonds
5
Heavy Atom Count
14
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 11564628
SID: 16666805
ChEMBL ID
CHEMBL204360
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  2
1
EC50 = 39.81 nM
   TI
   LI
   LO
   TS
2
Ki = 39.81 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 501.19 nM
   TI
   LI
   LO
   TS