General Information of the Compound
Compound ID
CP0467626
Compound Name
2-(4-Methoxy-benzyl)-1H-benzoimidazol-4-ol
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Structure
Formula
C15H14N2O2
Molecular Weight
254.289
Canonical SMILES
COc1ccc(Cc2nc3c(O)cccc3[nH]2)cc1
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InChI
InChI=1S/C15H14N2O2/c1-19-11-7-5-10(6-8-11)9-14-16-12-3-2-4-13(18)15(12)17-14/h2-8,18H,9H2,1H3,(H,16,17)
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InChIKey
XVRTUYLYEVFNRO-UHFFFAOYSA-N
Physicochemical Property
logP
2.8679
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
58.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 13971344
ChEMBL ID
CHEMBL68893
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 = 20000 nM
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