General Information of the Compound
Compound ID
CP0948256
Compound Name
1-cyclopropyl-2-(hydroxydiphenylmethyl)-N-methyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C25H23N3O2
Molecular Weight
397.478
Canonical SMILES
CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C3CC3)c2c1
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InChI
InChI=1S/C25H23N3O2/c1-26-23(29)17-12-15-21-22(16-17)28(20-13-14-20)24(27-21)25(30,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,15-16,20,30H,13-14H2,1H3,(H,26,29)
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InChIKey
AYALJFPEQMMMSC-UHFFFAOYSA-N
Physicochemical Property
logP
4.015
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 126726298
ChEMBL ID
CHEMBL4524748
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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