General Information of the Compound
Compound ID
CP0948205
Compound Name
(1-ethyl-6-isopropoxy-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C25H26N2O2
Molecular Weight
386.495
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OC(C)C)cc21
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InChI
InChI=1S/C25H26N2O2/c1-4-27-23-17-21(29-18(2)3)15-16-22(23)26-24(27)25(28,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,28H,4H2,1-3H3
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InChIKey
XRULMOIROLUKAG-UHFFFAOYSA-N
Physicochemical Property
logP
5.1276
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
47.28
Hydrogen Bond Donor Count
1
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: 126726257
ChEMBL ID
CHEMBL4554764
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
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   LI
   LO
   TS