General Information of the Compound
Compound ID
CP0493579
Compound Name
2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole
    Show/Hide
Structure
Formula
C14H20N2
Molecular Weight
216.328
Canonical SMILES
CCc1cccc(CC)c1CC1=NCCN1
    Show/Hide
InChI
InChI=1S/C14H20N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-7H,3-4,8-10H2,1-2H3,(H,15,16)
    Show/Hide
InChIKey
WYQAIMKBOICTHH-UHFFFAOYSA-N
Physicochemical Property
logP
2.3556
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 24781714
SID: 49706073
ChEMBL ID
CHEMBL2206391
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 300 nM
   TI
   LI
   LO
   TS