General Information of the Compound
Compound ID
CP0481029
Compound Name
N-(2,3-dihydroxypropyl)-4-phenyl-1H-benzimidazole-2-carboxamide
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Structure
Formula
C17H17N3O3
Molecular Weight
311.341
Canonical SMILES
OCC(O)CNC(=O)c1nc2c(cccc2[nH]1)-c1ccccc1
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InChI
InChI=1S/C17H17N3O3/c21-10-12(22)9-18-17(23)16-19-14-8-4-7-13(15(14)20-16)11-5-2-1-3-6-11/h1-8,12,21-22H,9-10H2,(H,18,23)(H,19,20)
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InChIKey
UPRVSARQEYFBEX-UHFFFAOYSA-N
Physicochemical Property
logP
1.3129
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
98.24
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 76328635
ChEMBL ID
CHEMBL3114525
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 17000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 6.3 nM
   TI
   LI
   LO
   TS