General Information of the Compound
Compound ID
CP0497968
Compound Name
2-[(2-phenylphenoxy)methyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C16H16N2O
Molecular Weight
252.317
Canonical SMILES
C(Oc1ccccc1-c1ccccc1)C1=NCCN1
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InChI
InChI=1S/C16H16N2O/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
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InChIKey
BPRZPBVOIULUSI-UHFFFAOYSA-N
Physicochemical Property
logP
2.7341
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 44269124
ChEMBL ID
CHEMBL13789
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 2.344 nM
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