General Information of the Compound
Compound ID
CP0491333
Compound Name
2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole
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Synonyms
113698-36-5
2-(2-Naphthyl)-1-imidazoline
2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
BGWRJAXPPYHIRG-UHFFFAOYSA-N
CHEMBL266155
DTXSID8048442
SCHEMBL9575180
ZINC13805903
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Structure
Formula
C13H12N2
Molecular Weight
196.253
Canonical SMILES
C1CN=C(N1)c1ccc2ccccc2c1
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InChI
InChI=1S/C13H12N2/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13/h1-6,9H,7-8H2,(H,14,15)
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InChIKey
BGWRJAXPPYHIRG-UHFFFAOYSA-N
Physicochemical Property
logP
2.1896
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 11769428
SID: 16878182
ChEMBL ID
CHEMBL266155
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: PT02100, Nischarin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
Ki = 1.288 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole )
Drug Name 2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor