General Information of the Compound
Compound ID
CP0433702
Compound Name
6-fluoro-1-propan-2-yl-2-pyridin-3-ylbenzimidazole
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Structure
Formula
C15H14FN3
Molecular Weight
255.296
Canonical SMILES
CC(C)n1c(nc2ccc(F)cc12)-c1cccnc1
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InChI
InChI=1S/C15H14FN3/c1-10(2)19-14-8-12(16)5-6-13(14)18-15(19)11-4-3-7-17-9-11/h3-10H,1-2H3
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InChIKey
IPXUVOVAPKQTIO-UHFFFAOYSA-N
Physicochemical Property
logP
3.8183
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 68053838
ChEMBL ID
CHEMBL3582450
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 = 3923 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 = 138 nM
   TI
   LI
   LO
   TS