General Information of the Compound
Compound ID
CP0117991
Compound Name
1-(2-Naphthyl)-1H-imidazole
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Synonyms
1-(2-naphthyl)-1h-imidazole
1-(naphthalen-2-yl)-1H-imidazole
1-Naphthalen-2-yl-1H-imidazole
1H-Imidazole, 1-(2-naphthalenyl)-
25372-01-4
AKOS034336039
BDBM8916
CHEMBL195996
Imidazole-substituted naphthalene 23
MCULE-9753314459
MolPort-009-323-053
SCHEMBL2071832
ZINC13674480
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Structure
Formula
C13H10N2
Molecular Weight
194.237
Canonical SMILES
c1cn(cn1)-c1ccc2ccccc2c1
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InChI
InChI=1S/C13H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-10H
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InChIKey
LHAAPZJTEBPKBJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.0255
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: 23644748
ChEMBL ID
CHEMBL195996
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 = 38.5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-Naphthalen-2-yl-1H-imidazole )
Drug Name 1-Naphthalen-2-yl-1H-imidazole
Target(s)
Aromatase (CYP19A1)
Inhibitor
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor