General Information of the Compound
Compound ID
CP0910303
Compound Name
2-(4-Ethoxy-benzyl)-7-methyl-1H-benzoimidazol-4-ol hydrochloride
    Show/Hide
Structure
Formula
C17H19ClN2O2
Molecular Weight
318.804
Canonical SMILES
CCOc1ccc(Cc2nc3c(C)ccc(O)c3[nH]2)cc1.Cl
    Show/Hide
InChI
InChI=1S/C17H18N2O2.ClH/c1-3-21-13-7-5-12(6-8-13)10-15-18-16-11(2)4-9-14(20)17(16)19-15;/h4-9,20H,3,10H2,1-2H3,(H,18,19);1H
    Show/Hide
InChIKey
CFHUMBLGDFYCJP-UHFFFAOYSA-N
Physicochemical Property
logP
3.98822
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
58.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 13971321
ChEMBL ID
CHEMBL1202810
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS