General Information of the Compound
Compound ID
CP0482394
Compound Name
2-[[2,6-di(propan-2-yl)phenyl]methyl]-1H-imidazole
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Structure
Formula
C16H22N2
Molecular Weight
242.366
Canonical SMILES
CC(C)c1cccc(C(C)C)c1Cc1ncc[nH]1
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InChI
InChI=1S/C16H22N2/c1-11(2)13-6-5-7-14(12(3)4)15(13)10-16-17-8-9-18-16/h5-9,11-12H,10H2,1-4H3,(H,17,18)
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InChIKey
HGNWYBNUXYACPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.2473
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 58951824
SID: 152144859
ChEMBL ID
CHEMBL2206398
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 630 nM
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   LI
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