General Information of the Compound
Compound ID
CP0046522
Compound Name
2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
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Synonyms
1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-(9CI)
2-(phenylmethyl)-4,5-dihydro-1H-imidazole
2-BENZYL-4,5-IMIDAZOLINE HCl
2-Benzyl-2-imidazoline
2-Benzyl-4,5-dihydro-1H-imidazole
2-Benzyl-4,5-imidazoline
2-Benzylimidazoline
4,5-Dihydro-2-(phenylmethyl)-1H-imidazole
Artonil
Benzalolin
Benzazoline
Benzidazol
Benzolin
Benzolin (VAN)
Benzolin (vasodilator)
Benzolin (vasodilator) (VAN)
Benzylimidazoline
Ciba 3259
Dilatol ASI
Divascol
Imidalin
Imidaline
Kasimid;Lambril
Olitensol
Peripherine
Phenylmethylimidazoline
Prefaxil
Pridazole
Priscol
Priscoline
Tolazine [veterinary]
Tolazine [veterinary] (TN)
Tolazolin
Tolazolina
Tolazolina [INN-Spanish]
Tolazoline
Tolazoline (INN)
Tolazoline Monohydrochloride
Tolazoline [INN:BAN]
Tolazolinum
Tolazolinum [INN-Latin]
Vasimid
Vasodil
Vasodilatan
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Structure
Formula
C10H12N2
Molecular Weight
160.22
Canonical SMILES
C(C1=NCCN1)c1ccccc1
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InChI
InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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InChIKey
JIVZKJJQOZQXQB-UHFFFAOYSA-N
CAS
59-98-3
Physicochemical Property
logP
1.2308
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 5504
SID: 15146988
ChEMBL ID
CHEMBL770
DrugBank ID
DB00797
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: PT04763, Trace amine-associated receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 1640 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Tolazoline )
Drug Name Tolazoline
Indication
Pulmonary hypertension
Approved
Target(s)
Dopamine D2 receptor (D2R)
 Target Info 
Antagonist