General Information of the Compound
Compound ID
CP0180649
Compound Name
5-(3-benzhydryloxypropyl)-1H-imidazole
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Structure
Formula
C19H20N2O
Molecular Weight
292.382
Canonical SMILES
C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
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InChI
InChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)
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InChIKey
LJIRQKCQUPMGIY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1485
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 21193534
ChEMBL ID
CHEMBL1179089
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
Ki = 25 nM
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