General Information of the Compound
Compound ID
CP0915903
Compound Name
2-benzhydryl-N-methyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C22H19N3O
Molecular Weight
341.414
Canonical SMILES
CNC(=O)c1ccc2nc(C(c3ccccc3)c3ccccc3)[nH]c2c1
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InChI
InChI=1S/C22H19N3O/c1-23-22(26)17-12-13-18-19(14-17)25-21(24-18)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,23,26)(H,24,25)
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InChIKey
ZXDOBYNWOXIVTK-UHFFFAOYSA-N
Physicochemical Property
logP
4.1027
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 126729850
ChEMBL ID
CHEMBL4578244
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