General Information of the Compound
Compound ID
CP0502535
Compound Name
5-(cyclohexylmethyl)-1H-imidazole
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Structure
Formula
C10H16N2
Molecular Weight
164.252
Canonical SMILES
C(C1CCCCC1)c1cnc[nH]1
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InChI
InChI=1S/C10H16N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h7-9H,1-6H2,(H,11,12)
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InChIKey
RWBFCYZFACUBIZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5325
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
12

"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: 9793921
SID: 14748083
ChEMBL ID
CHEMBL1824228
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: PT02227, 5-hydroxytryptamine receptor 3A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1258.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 630.96 nM
   TI
   LI
   LO
   TS