General Information of the Compound
Compound ID
CP0375356
Compound Name
4-ethyl-1-pentylbenzimidazol-2-amine
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Structure
Formula
C14H21N3
Molecular Weight
231.343
Canonical SMILES
CCCCCn1c(N)nc2c(CC)cccc12
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InChI
InChI=1S/C14H21N3/c1-3-5-6-10-17-12-9-7-8-11(4-2)13(12)16-14(17)15/h7-9H,3-6,10H2,1-2H3,(H2,15,16)
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InChIKey
NGCIYBMHFRAESR-UHFFFAOYSA-N
Physicochemical Property
logP
3.3711
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 117908193
ChEMBL ID
CHEMBL3326939
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 = 1650 nM
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