General Information of the Compound
Compound ID
CP0959021
Compound Name
(1-ethyl-6-propyl-1H-benzo[d]imidazol-2-yl)diphenylmethanol
    Show/Hide
Structure
Formula
C25H26N2O
Molecular Weight
370.496
Canonical SMILES
CCCc1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1
    Show/Hide
InChI
InChI=1S/C25H26N2O/c1-3-11-19-16-17-22-23(18-19)27(4-2)24(26-22)25(28,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-18,28H,3-4,11H2,1-2H3
    Show/Hide
InChIKey
YROVUNJYFLHCJV-UHFFFAOYSA-N
Physicochemical Property
logP
5.2929
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118516006
ChEMBL ID
CHEMBL4549726
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