General Information of the Compound
Compound ID
CP0510255
Compound Name
1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole
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Structure
Formula
C16H15ClN2
Molecular Weight
270.763
Canonical SMILES
Cc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C
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InChI
InChI=1S/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3
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InChIKey
AGMQHEBJQCVRFK-UHFFFAOYSA-N
Physicochemical Property
logP
4.35484
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 683409
ChEMBL ID
CHEMBL1945694
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7000 nM
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