General Information of the Compound
Compound ID
CP0411150
Compound Name
4-(2-(4-Cyclohexylphenylamino)ethyl)-1H-imidazole
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Synonyms
4-(2-(4-Cyclohexylphenylamino)ethyl)-1H-imidazole
CHEMBL1098229
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Structure
Formula
C17H23N3
Molecular Weight
269.392
Canonical SMILES
C(Cc1cnc[nH]1)Nc1ccc(cc1)C1CCCCC1
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InChI
InChI=1S/C17H23N3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,1-5,10-11H2,(H,18,20)
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InChIKey
GEYDSVZUDGXVCV-UHFFFAOYSA-N
Physicochemical Property
logP
4.112
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 46222047
SID: 96076718
ChEMBL ID
CHEMBL1098229
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 4.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-(4-Cyclohexylphenylamino)ethyl)-1H-imidazole )
Drug Name 4-(2-(4-Cyclohexylphenylamino)ethyl)-1H-imidazole
Target(s)
Histamine H3 receptor (H3R)
Inhibitor