General Information of the Compound
Compound ID
CP0179132
Compound Name
2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-2-amine
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Structure
Formula
C14H21N3
Molecular Weight
231.343
Canonical SMILES
CC(C)(C)c1ccc2[nH]c(nc2c1)C(C)(C)N
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InChI
InChI=1S/C14H21N3/c1-13(2,3)9-6-7-10-11(8-9)17-12(16-10)14(4,5)15/h6-8H,15H2,1-5H3,(H,16,17)
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InChIKey
CCGUDUAICHRNSB-UHFFFAOYSA-N
Physicochemical Property
logP
3.0542
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 84626694
ChEMBL ID
CHEMBL4466809
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 607 nM
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