General Information of the Compound
Compound ID
CP0944451
Compound Name
(1,6-dimethyl-1H-benzo[d]imidazol-2-yl)(3-fluoropyridin-2-yl)(phenyl)methanol
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Structure
Formula
C21H18FN3O
Molecular Weight
347.393
Canonical SMILES
Cc1ccc2nc(C(O)(c3ccccc3)c3ncccc3F)n(C)c2c1
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InChI
InChI=1S/C21H18FN3O/c1-14-10-11-17-18(13-14)25(2)20(24-17)21(26,15-7-4-3-5-8-15)19-16(22)9-6-12-23-19/h3-13,26H,1-2H3
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InChIKey
UOJLTUAOVMKKQO-UHFFFAOYSA-N
Physicochemical Property
logP
3.70002
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 126726302
ChEMBL ID
CHEMBL4579499
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS