General Information of the Compound
Compound ID
CP0915898
Compound Name
(1-ethyl-7-fluoro-6-methyl-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C23H21FN2O
Molecular Weight
360.432
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C)c(F)c21
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InChI
InChI=1S/C23H21FN2O/c1-3-26-21-19(15-14-16(2)20(21)24)25-22(26)23(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,27H,3H2,1-2H3
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InChIKey
ZCKXISVDDOGSPZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.78792
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 126726506
ChEMBL ID
CHEMBL4565404
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 = 250 nM
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