General Information of the Compound
Compound ID
CP0358724
Compound Name
4-(4-Phenyl-butyl)-1H-imidazole
    Show/Hide
Synonyms
FUB-349
4-(4-Phenyl-butyl)-1H-imidazole
4-(4-phenylbutyl)-3H-imidazole
BDBM50071197
CHEMBL296450
FUB 349
FUB-349
FUB349
GTPL1259
ZINC29405823
    Show/Hide
Structure
Formula
C13H16N2
Molecular Weight
200.285
Canonical SMILES
C(CCc1ccccc1)Cc1cnc[nH]1
    Show/Hide
InChI
InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)
    Show/Hide
InChIKey
BQTXNCXSCSNHGA-UHFFFAOYSA-N
Physicochemical Property
logP
2.9751
Rotatable Bonds
5
Heavy Atom Count
15
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 9990388
SID: 14968926
ChEMBL ID
CHEMBL296450
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01173, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 12 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( FUB 349 )
Drug Name FUB 349
Target(s)
Histamine H3 receptor (H3R)
Antagonist