General Information of the Compound
Compound ID
CP0480690
Compound Name
N-(1H-benzimidazol-2-yl)-3,4-dichlorobenzamide
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Structure
Formula
C14H9Cl2N3O
Molecular Weight
306.152
Canonical SMILES
Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2[nH]1
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InChI
InChI=1S/C14H9Cl2N3O/c15-9-6-5-8(7-10(9)16)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
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InChIKey
XTCYKXYLOUABIM-UHFFFAOYSA-N
Physicochemical Property
logP
4.122
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 873710
ChEMBL ID
CHEMBL3401725
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: PT06161, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 9800 nM
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