General Information of the Compound
Compound ID
CP0087650
Compound Name
2-[1-[2-(cyclopropylmethyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
    Show/Hide
Structure
Formula
C15H20N2O
Molecular Weight
244.338
Canonical SMILES
CC(Oc1ccccc1CC1CC1)C1=NCCN1
    Show/Hide
InChI
InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)
    Show/Hide
InChIKey
SEKAQUSPSDPIAN-UHFFFAOYSA-N
Physicochemical Property
logP
2.4081
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 57345628
SID: 136367118
ChEMBL ID
CHEMBL1956195
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 10.47 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 10.47 nM
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)  1
1
Ki = 36.31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 36.31 nM
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 = 3311.31 nM
   TI
   LI
   LO
   TS
2
Ki = 407.38 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 3311.31 nM
2 Ki = 407.38 nM
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 = 1.995 nM
   TI
   LI
   LO
   TS
2
Ki = 275.42 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1.995 nM
2 Ki = 275.42 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 8900 nM
   TI
   LI
   LO
   TS