General Information of the Compound
Compound ID
CP0381836
Compound Name
6-(2-(methoxy methyl)phenyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole
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Structure
Formula
C15H18N2O
Molecular Weight
242.322
Canonical SMILES
COCc1ccccc1C1CCc2nc[nH]c2C1
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InChI
InChI=1S/C15H18N2O/c1-18-9-12-4-2-3-5-13(12)11-6-7-14-15(8-11)17-10-16-14/h2-5,10-11H,6-9H2,1H3,(H,16,17)
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InChIKey
PAMROTRMNXQKOE-UHFFFAOYSA-N
Physicochemical Property
logP
2.8286
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44593580
ChEMBL ID
CHEMBL466876
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: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS