General Information of the Compound
Compound ID
CP0946402
Compound Name
3-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)propan-1-ol
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Structure
Formula
C25H26N2O2
Molecular Weight
386.495
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCCO)cc21
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InChI
InChI=1S/C25H26N2O2/c1-2-27-23-18-19(10-9-17-28)15-16-22(23)26-24(27)25(29,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-16,18,28-29H,2,9-10,17H2,1H3
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InChIKey
UFWFJJOQVPICSU-UHFFFAOYSA-N
Physicochemical Property
logP
4.2653
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
58.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 118519310
ChEMBL ID
CHEMBL4551763
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 < 50 nM
   TI
   LI
   LO
   TS