General Information of the Compound
Compound ID
CP0427292
Compound Name
2-Phenethyl-4,5-dihydro-1H-imidazole
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Synonyms
1H-Imidazole, 4,5-dihydro-2-(2-phenylethyl)-
2-(beta-Phenylaethyl)imidazolin
2-(beta-Phenylaethyl)imidazolin [German]
2-IMIDAZOLINE, 2-PHENETHYL-
2-Phenethyl-1-imidazoline
2-Phenethyl-2-imidazoline
2-Phenethyl-4,5-dihydro-1H-imidazole
26038-62-0
5-23-07-00011 (Beilstein Handbook Reference)
AC1L1PA8
AKOS022535828
BDBM50138499
BRN 0129593
CHEMBL14210
DTXSID30180682
LS-79674
Phenyzoline
SCHEMBL3172677
beta-Phenylethylimidazoline
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Structure
Formula
C11H14N2
Molecular Weight
174.247
Canonical SMILES
C(Cc1ccccc1)C1=NCCN1
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InChI
InChI=1S/C11H14N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5H,6-9H2,(H,12,13)
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InChIKey
CPMMXSDLEOJRHI-UHFFFAOYSA-N
CAS
26038-62-0
Physicochemical Property
logP
1.6209
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 33273
SID: 26740421
ChEMBL ID
CHEMBL14210
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 3715.35 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Phenethyl-4,5-dihydro-1H-imidazole )
Drug Name 2-Phenethyl-4,5-dihydro-1H-imidazole
Target(s)
Monoamine oxidase type A (MAO-A)
Inhibitor
Monoamine oxidase type B (MAO-B)
Inhibitor