General Information of the Compound
Compound ID
CP0454263
Compound Name
N,N-dimethyl-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-1-amine
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Structure
Formula
C19H23N3O
Molecular Weight
309.413
Canonical SMILES
CN(C)CCCn1c(COc2ccccc2)nc2ccccc12
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InChI
InChI=1S/C19H23N3O/c1-21(2)13-8-14-22-18-12-7-6-11-17(18)20-19(22)15-23-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
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InChIKey
GCXYBXPYDRVPBJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.567
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
30.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 1201734
ChEMBL ID
CHEMBL405860
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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
EC50 = 2600 nM
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