General Information of the Compound
Compound ID
CP0448134
Compound Name
2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
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Structure
Formula
C24H21ClN2O
Molecular Weight
388.898
Canonical SMILES
CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(Cl)cc3)nc2c1
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InChI
InChI=1S/C24H21ClN2O/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16/h3-15,28H,1-2H3,(H,26,27)/b14-9+
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InChIKey
NNMIYXODOSQCAM-NTEUORMPSA-N
Physicochemical Property
logP
6.2811
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 24759485
SID: 49663297
ChEMBL ID
CHEMBL3426364
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5.7 nM
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