General Information of the Compound
Compound ID
CP0417437
Compound Name
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(phenyl)methanone
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Structure
Formula
C19H19N3O
Molecular Weight
305.381
Canonical SMILES
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccccc1
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InChI
InChI=1S/C19H19N3O/c23-19(15-6-2-1-3-7-15)22-12-10-14(11-13-22)18-20-16-8-4-5-9-17(16)21-18/h1-9,14H,10-13H2,(H,20,21)
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InChIKey
NULDNYBISHOZQY-UHFFFAOYSA-N
Physicochemical Property
logP
3.5827
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
48.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 1452981
ChEMBL ID
CHEMBL473775
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: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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