General Information of the Compound
Compound ID
CP0380687
Compound Name
(2-Chloro-phenyl)-(4,5-dihydro-1H-imidazol-2-ylmethyl)-amine
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Structure
Formula
C10H12ClN3
Molecular Weight
209.68
Canonical SMILES
Clc1ccccc1NCC1=NCCN1
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InChI
InChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,14H,5-7H2,(H,12,13)
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InChIKey
DYFUNGBOKHWQAJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7536
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
36.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 13123534
ChEMBL ID
CHEMBL51358
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: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 776.25 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)  1
1
EC50 = 223.87 nM
   TI
   LI
   LO
   TS