General Information of the Compound
Compound ID
CP0253972
Compound Name
1-(3-methoxynaphthalen-2-yl)-1H-imidazole
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Synonyms
1-(3-Methoxy-naphthalen-2-yl)-1H-imidazole
1-(3-methoxy-2-naphthyl)-1h-imidazole
1H-Imidazole, 1-(3-methoxy-2-naphthalenyl)-
674309-81-0
AKOS030619217
BDBM8917
CHEMBL194472
CTK1H7855
DTXSID70465102
Imidazole-substituted naphthalene 24
SCHEMBL4508354
ZINC13674482
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Structure
Formula
C14H12N2O
Molecular Weight
224.263
Canonical SMILES
COc1cc2ccccc2cc1-n1ccnc1
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InChI
InChI=1S/C14H12N2O/c1-17-14-9-12-5-3-2-4-11(12)8-13(14)16-7-6-15-10-16/h2-10H,1H3
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InChIKey
HDJQGQGNKJFUSV-UHFFFAOYSA-N
Physicochemical Property
logP
3.0341
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
27.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 11413434
SID: 16509533
ChEMBL ID
CHEMBL194472
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: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(3-Methoxy-naphthalen-2-yl)-1H-imidazole )
Drug Name 1-(3-Methoxy-naphthalen-2-yl)-1H-imidazole
Target(s)
Aromatase (CYP19A1)
Inhibitor
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor