General Information of the Compound
Compound ID
CP0391032
Compound Name
1-(4-fluorobenzyl)-N-(1-benzylpiperidin-4-yl)-1H-benzo[d]imidazol-2-amine
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Structure
Formula
C26H27FN4
Molecular Weight
414.528
Canonical SMILES
Fc1ccc(Cn2c(NC3CCN(Cc4ccccc4)CC3)nc3ccccc23)cc1
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InChI
InChI=1S/C26H27FN4/c27-22-12-10-21(11-13-22)19-31-25-9-5-4-8-24(25)29-26(31)28-23-14-16-30(17-15-23)18-20-6-2-1-3-7-20/h1-13,23H,14-19H2,(H,28,29)
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InChIKey
MZTGXOYMGCGDBB-UHFFFAOYSA-N
Physicochemical Property
logP
5.3002
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
33.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 24740518
SID: 49633848
ChEMBL ID
CHEMBL236785
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: PT01196, Somatostatin receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6120 nM
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