General Information of the Compound
Compound ID
CP0386170
Compound Name
2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
    Show/Hide
Structure
Formula
C16H22N2O
Molecular Weight
258.365
Canonical SMILES
CC(Oc1ccccc1C1CCCC1)C1=NCCN1
    Show/Hide
InChI
InChI=1S/C16H22N2O/c1-12(16-17-10-11-18-16)19-15-9-5-4-8-14(15)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,17,18)
    Show/Hide
InChIKey
WIQCERUTOBWUOL-UHFFFAOYSA-N
Physicochemical Property
logP
3.1132
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 24906199
SID: 53800378
ChEMBL ID
CHEMBL495096
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 63.1 nM
   TI
   LI
   LO
   TS
2
Ki = 50.12 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 501.19 nM
   TI
   LI
   LO
   TS
2
Ki = 190.55 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 10 nM
   TI
   LI
   LO
   TS
2
Ki = 26.92 nM
   TI
   LI
   LO
   TS