General Information of the Compound
Compound ID
CP0951448
Compound Name
(1,5-dimethyl-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C22H20N2O
Molecular Weight
328.415
Canonical SMILES
Cc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C
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InChI
InChI=1S/C22H20N2O/c1-16-13-14-20-19(15-16)23-21(24(20)2)22(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,25H,1-2H3
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InChIKey
VRJGYCAOWNKMOW-UHFFFAOYSA-N
Physicochemical Property
logP
4.16592
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 126726408
ChEMBL ID
CHEMBL4554553
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 = 250 nM
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