General Information of the Compound
Compound ID
CP0031289
Compound Name
2-[(2,6-diethylphenyl)methyl]-1H-imidazole
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Structure
Formula
C14H18N2
Molecular Weight
214.312
Canonical SMILES
CCc1cccc(CC)c1Cc1ncc[nH]1
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InChI
InChI=1S/C14H18N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-9H,3-4,10H2,1-2H3,(H,15,16)
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InChIKey
NIRASHDWADNQJU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1253
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 24781869
SID: 49706231
ChEMBL ID
CHEMBL2206397
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 = 24 nM
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