General Information of the Compound
Compound ID
CP0951464
Compound Name
2-(1H-Benzo[d]imidazol-2-yl)ethanamine
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Structure
Formula
C9H11N3
Molecular Weight
161.208
Canonical SMILES
NCCc1nc2ccccc2[nH]1
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InChI
InChI=1S/C9H11N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12)
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InChIKey
GJEPMYMUORZPMP-UHFFFAOYSA-N
Physicochemical Property
logP
1.0641
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 415158
ChEMBL ID
CHEMBL4580273
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: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS