General Information of the Compound
Compound ID
CP0432320
Compound Name
N-(1H-benzimidazol-2-yl)cyclohexanecarboxamide
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Structure
Formula
C14H17N3O
Molecular Weight
243.31
Canonical SMILES
O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1
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InChI
InChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17,18)
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InChIKey
PJIQFCQXLDJDMT-UHFFFAOYSA-N
Physicochemical Property
logP
3.0817
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 768093
ChEMBL ID
CHEMBL3401729
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 = 42000 nM
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