General Information of the Compound
Compound ID
CP0911158
Compound Name
7-Methyl-2-phenyl-1H-benzoimidazol-4-ol hydrochloride
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Structure
Formula
C14H13ClN2O
Molecular Weight
260.724
Canonical SMILES
Cc1ccc(O)c2[nH]c(-c3ccccc3)nc12.Cl
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InChI
InChI=1S/C14H12N2O.ClH/c1-9-7-8-11(17)13-12(9)15-14(16-13)10-5-3-2-4-6-10;/h2-8,17H,1H3,(H,15,16);1H
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InChIKey
RYURWEKTUALVKS-UHFFFAOYSA-N
Physicochemical Property
logP
3.66572
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
48.91
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: 13971336
ChEMBL ID
CHEMBL1202795
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 = 1200 nM
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