General Information of the Compound
Compound ID
CP0482136
Compound Name
N-[(3R)-1-ethylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
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Structure
Formula
C22H26N4O
Molecular Weight
362.477
Canonical SMILES
CCN1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12
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InChI
InChI=1S/C22H26N4O/c1-4-25-14-13-19(15-25)24(3)22(27)17-9-11-18(12-10-17)26-16(2)23-20-7-5-6-8-21(20)26/h5-12,19H,4,13-15H2,1-3H3/t19-/m1/s1
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InChIKey
UAIOIQTUQDKACX-LJQANCHMSA-N
Physicochemical Property
logP
3.50012
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 56679117
ChEMBL ID
CHEMBL1836034
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 = 15 nM
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