General Information of the Compound
Compound ID
CP0553661
Compound Name
7-Methyl-2-(4-methyl-benzyl)-1H-benzoimidazol-4-ol
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Structure
Formula
C16H16N2O
Molecular Weight
252.317
Canonical SMILES
Cc1ccc(Cc2nc3c(O)ccc(C)c3[nH]2)cc1
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InChI
InChI=1S/C16H16N2O/c1-10-3-6-12(7-4-10)9-14-17-15-11(2)5-8-13(19)16(15)18-14/h3-8,19H,9H2,1-2H3,(H,17,18)
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InChIKey
LIUQCTSOMKELLL-UHFFFAOYSA-N
Physicochemical Property
logP
3.47614
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 13971311
ChEMBL ID
CHEMBL303956
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 = 2540 nM
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