General Information of the Compound
Compound ID
CP0283392
Compound Name
2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; hydrochloride
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Synonyms
2-(1-Naphthylmethyl)-2-imidazoline
2-(1-Naphthylmethyl)-4,5-dihydro-1H-imidazole
2-(Naphthyl-(1')-methyl)imidazolin
2-(Naphthyl-(1')-methyl)imidazolin [German]
2-(alpha-Naphthylmethyl)-imidazoline
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
4,5-Dihydro-2-(1-naphthylmethyl)imidazole
AK-968/41090774
Alpha-Naphthylmethyl imidazoline
Antan
Ciba 2020/R
Clearine
Enamine_000333
Nafazolin
Nafazolin (TN)
Nafazolina
Nafazolina [DCIT]
Nafazoline
Nafazoline [Spanish]
Naphazoline
Naphazoline (INN)
Naphazoline Monohydrochloride
Naphazoline [INN:BAN]
Naphazolinum
Naphazolinum [INN-Latin]
Naphazolinum [Latin]
Naphthizine
Opcon
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Structure
Formula
C14H14N2
Molecular Weight
210.28
Canonical SMILES
C(C1=NCCN1)c1cccc2ccccc12
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InChI
InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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InChIKey
CNIIGCLFLJGOGP-UHFFFAOYSA-N
CAS
835-31-4
Physicochemical Property
logP
2.384
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: 4436
SID: 14822445
ChEMBL ID
CHEMBL761
DrugBank ID
DB06711
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: PT01598, Alpha-2C adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 54.95 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 2.291 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
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 = 245.47 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Naphazoline )
Drug Name Naphazoline
Company Allergan Inc
Indication
Itching
Approved
Hyperaemia
Approved
Target(s)
Dopamine D2 receptor (D2R)
 Target Info 
Agonist