General Information of the Compound
Compound ID
CP0463553
Compound Name
5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole
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Structure
Formula
C12H12N2O
Molecular Weight
200.241
Canonical SMILES
C(C1CN=CN1)c1cc2ccccc2o1
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InChI
InChI=1S/C12H12N2O/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,8,10H,6-7H2,(H,13,14)
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InChIKey
XYKLDBVIJCCWKG-UHFFFAOYSA-N
Physicochemical Property
logP
1.9754
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
37.53
Hydrogen Bond Donor Count
1
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: 12981870
ChEMBL ID
CHEMBL167644
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 = 19.95 nM
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