General Information of the Compound
Compound ID
CP0409418
Compound Name
2-(phenoxymethyl)-4,5-dihydro-1H-imidazole
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Synonyms
1H-Imidazole, 4,5-dihydro-2-(phenoxymethyl)-
2-(Phenoxymethyl)-2-imidazoline
2-(phenoxymethyl)-4,5-dihydro-1H-imidazole
2-Phenoxymethyl-4,5-dihydro-1H-imidazole
43111-36-0
AKOS006278066
BDBM50179395
CHEMBL14640
SCHEMBL546875
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Structure
Formula
C10H12N2O
Molecular Weight
176.219
Canonical SMILES
C(Oc1ccccc1)C1=NCCN1
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InChI
InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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InChIKey
GRMJZZBFHKTYDJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.0671
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 10442227
SID: 15462548
ChEMBL ID
CHEMBL14640
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)  2
1
Ki = 691.83 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 707.95 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Phenoxymethyl-4,5-dihydro-1H-imidazole )
Drug Name 2-Phenoxymethyl-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