General Information of the Compound
Compound ID
CP0445268
Compound Name
5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
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Structure
Formula
C14H16N2
Molecular Weight
212.296
Canonical SMILES
C(C1CN=CN1)C1=Cc2ccccc2CC1
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InChI
InChI=1S/C14H16N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,7,10,14H,5-6,8-9H2,(H,15,16)
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InChIKey
WNPGIHKSPQIODH-UHFFFAOYSA-N
Physicochemical Property
logP
2.4064
Rotatable Bonds
2
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).

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PubChem ID
CID: 10176715
SID: 15171960
ChEMBL ID
CHEMBL407509
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)  1
1
Ki = 100 nM
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