General Information of the Compound
Compound ID
CP0397087
Compound Name
(1-butylbenzimidazol-2-yl)amine;hydrochloride
    Show/Hide
Structure
Formula
C11H15N3
Molecular Weight
189.262
Canonical SMILES
CCCCn1c(N)nc2ccccc12
    Show/Hide
InChI
InChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)
    Show/Hide
InChIKey
BPFMGSARUNSBFM-UHFFFAOYSA-N
Physicochemical Property
logP
2.4186
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2772288
ChEMBL ID
CHEMBL1623904
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: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 7300 nM
   TI
   LI
   LO
   TS