General Information of the Compound
Compound ID
CP0438668
Compound Name
N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
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Structure
Formula
C15H13N3O2
Molecular Weight
267.288
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
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InChI
InChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H2,16,17,18,19)
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InChIKey
RZINPPBIIPUBKX-UHFFFAOYSA-N
Physicochemical Property
logP
2.8238
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
67.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 2081294
ChEMBL ID
CHEMBL1604245
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 3264.3 nM
   TI
   LI
   LO
   TS
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 = 100000 nM
   TI
   LI
   LO
   TS