General Information of the Compound
Compound ID
CP0951796
Compound Name
(1-methyl-1H-benzo[d]imidazol-2-yl)methanaminium
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Structure
Formula
C9H11N3
Molecular Weight
161.208
Canonical SMILES
Cn1c(CN)nc2ccccc21
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InChI
InChI=1S/C9H11N3/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6,10H2,1H3
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InChIKey
GFQZSGGPNZDNBC-UHFFFAOYSA-N
Physicochemical Property
logP
1.032
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 800907
ChEMBL ID
CHEMBL3770328
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS