General Information of the Compound
Compound ID
CP0389740
Compound Name
N-(4-chloro-1H-benzimidazol-2-yl)benzamide
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Structure
Formula
C14H10ClN3O
Molecular Weight
271.707
Canonical SMILES
Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
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InChI
InChI=1S/C14H10ClN3O/c15-10-7-4-8-11-12(10)17-14(16-11)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
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InChIKey
UYANATZTFXSNEV-UHFFFAOYSA-N
Physicochemical Property
logP
3.4686
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
57.78
Hydrogen Bond Donor Count
2
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: 145960933
ChEMBL ID
CHEMBL4128848
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 99 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS