General Information of the Compound
Compound ID
CP0441767
Compound Name
1-(3,4-Dihydronaphthalen-2-yl)-1H-imidazole
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Synonyms
1-(3,4-DIHYDRO-NAPHTHALEN-2-YL)-1H-IMIDAZOLE
1-(3,4-Dihydro-2-naphthalenyl)-1H-imidazole
1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole
1-(3,4-dihydronaphthalen-2-yl)imidazole
1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)-
1H-Imidazole,1-(3,4-dihydro-2-naphthalenyl)-
89781-63-5
AC1MIBH1
ACMC-20lqcl
AKOS006279027
BDBM8898
BRN 4745179
CHEMBL208471
CTK5G3471
DTXSID50237889
Dihydronaphthalene 13
LS-78473
SCHEMBL4513496
ZINC13684552
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Structure
Formula
C13H12N2
Molecular Weight
196.253
Canonical SMILES
C1Cc2ccccc2C=C1n1ccnc1
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InChI
InChI=1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
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InChIKey
DHUCLDOIXQGVDQ-UHFFFAOYSA-N
CAS
89781-63-5
Physicochemical Property
logP
2.8274
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
17.82
Hydrogen Bond Donor Count
0
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: 3021558
SID: 16784032
ChEMBL ID
CHEMBL208471
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: PT03119, Cytochrome P450 11B1, mitochondrial
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 639 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 334 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole )
Drug Name 1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
 Target Info 
Inhibitor