General Information of the Compound
Compound ID
CP0373437
Compound Name
(1H-Benzoimidazol-5-yl)-(1H-imidazol-2-yl)-amine
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Synonyms
(1H-Benzoimidazol-5-yl)-(1H-imidazol-2-yl)-amine
185312-13-4
1H-Benzimidazol-6-amine, N-1H-imidazol-2-yl-
AKOS027401219
BDBM50055831
CHEMBL74544
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Structure
Formula
C10H9N5
Molecular Weight
199.217
Canonical SMILES
N(c1ncc[nH]1)c1ccc2nc[nH]c2c1
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InChI
InChI=1S/C10H9N5/c1-2-8-9(14-6-13-8)5-7(1)15-10-11-3-4-12-10/h1-6H,(H,13,14)(H2,11,12,15)
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InChIKey
NFSIDEIKDWWMOX-UHFFFAOYSA-N
Physicochemical Property
logP
2.0296
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
69.39
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 10655607
SID: 15687610
ChEMBL ID
CHEMBL74544
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 76 nM
   TI
   LI
   LO
   TS
Protein ID: PT03109, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 640 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (1H-Benzoimidazol-5-yl)-(1H-imidazol-2-yl)-amine )
Drug Name (1H-Benzoimidazol-5-yl)-(1H-imidazol-2-yl)-amine
Target(s)
Adrenergic receptor alpha-2C (ADRA2C)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor