General Information of the Compound
Compound ID
CP0507660
Compound Name
(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-phenyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
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Structure
Formula
C27H28N4O
Molecular Weight
424.548
Canonical SMILES
CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
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InChI
InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3
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InChIKey
UYKJSYAQDGARFD-UHFFFAOYSA-N
Physicochemical Property
logP
4.5277
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 25032264
SID: 56383020
ChEMBL ID
CHEMBL597879
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 100 nM
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