General Information of the Compound
Compound ID
CP0515955
Compound Name
7-Methyl-2-trifluoromethyl-1H-benzoimidazol-4-ol
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Structure
Formula
C9H7F3N2O
Molecular Weight
216.162
Canonical SMILES
Cc1ccc(O)c2nc([nH]c12)C(F)(F)F
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InChI
InChI=1S/C9H7F3N2O/c1-4-2-3-5(15)7-6(4)13-8(14-7)9(10,11)12/h2-3,15H,1H3,(H,13,14)
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InChIKey
YRWQTOPVGJBPLT-UHFFFAOYSA-N
Physicochemical Property
logP
2.59572
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 13971352
ChEMBL ID
CHEMBL302735
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 = 250 nM
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   LI
   LO
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