General Information of the Compound
Compound ID
CP0308981
Compound Name
2-(4-Piperidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
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Structure
Formula
C19H20N4O
Molecular Weight
320.396
Canonical SMILES
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCCCN1
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InChI
InChI=1S/C19H20N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h3-4,6-10,15,21H,1-2,5,11H2,(H2,20,24)(H,22,23)
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InChIKey
RJRQJZUWLRXDTF-UHFFFAOYSA-N
Physicochemical Property
logP
3.1434
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
83.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 16665466
SID: 26525516
ChEMBL ID
CHEMBL1093900
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: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000337 C-4-I Homo sapiens (Human)  1
1
EC50 = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4 nM