General Information of the Compound
Compound ID
CP0388881
Compound Name
1-ethyl-6-fluoro-2-pyridin-3-ylbenzimidazole
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Structure
Formula
C14H12FN3
Molecular Weight
241.269
Canonical SMILES
CCn1c(nc2ccc(F)cc12)-c1cccnc1
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InChI
InChI=1S/C14H12FN3/c1-2-18-13-8-11(15)5-6-12(13)17-14(18)10-4-3-7-16-9-10/h3-9H,2H2,1H3
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InChIKey
LCTIOGYYEIBCKE-UHFFFAOYSA-N
Physicochemical Property
logP
3.2573
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 68053623
ChEMBL ID
CHEMBL3582449
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2101 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 35 nM
   TI
   LI
   LO
   TS