General Information of the Compound
Compound ID
CP0499438
Compound Name
2-[(2,6-dichlorophenyl)methyl]-1H-imidazole
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Structure
Formula
C10H8Cl2N2
Molecular Weight
227.094
Canonical SMILES
Clc1cccc(Cl)c1Cc1ncc[nH]1
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InChI
InChI=1S/C10H8Cl2N2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-5H,6H2,(H,13,14)
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InChIKey
HBZHCGKSSDKJIJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3073
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 18954858
SID: 152144857
ChEMBL ID
CHEMBL2206395
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 = 1390 nM
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