General Information of the Compound
Compound ID
CP0573117
Compound Name
2,4-diphenyl-5-thiophen-2-yl-1H-imidazole
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Structure
Formula
C19H14N2S
Molecular Weight
302.402
Canonical SMILES
c1csc(c1)-c1[nH]c(nc1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C19H14N2S/c1-3-8-14(9-4-1)17-18(16-12-7-13-22-16)21-19(20-17)15-10-5-2-6-11-15/h1-13H,(H,20,21)
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InChIKey
CZFSRHDIZCVSED-UHFFFAOYSA-N
Physicochemical Property
logP
5.4722
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
28.68
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: 939692
ChEMBL ID
CHEMBL4463647
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: PT06318, Sphingomyelin phosphodiesterase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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