General Information of the Compound
Compound ID
CP0905252
Compound Name
2-(4-(4-chlorophenyl)-1H-imidazol-2-yl)propan-2-amine
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Structure
Formula
C12H14ClN3
Molecular Weight
235.718
Canonical SMILES
CC(C)(N)c1nc(-c2ccc(Cl)cc2)c[nH]1
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InChI
InChI=1S/C12H14ClN3/c1-12(2,14)11-15-7-10(16-11)8-3-5-9(13)6-4-8/h3-7H,14H2,1-2H3,(H,15,16)
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InChIKey
ZFBHGYQVETXXBJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9239
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 65458453
ChEMBL ID
CHEMBL4104203
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 16000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 710 nM
   TI
   LI
   LO
   TS