General Information of the Compound
Compound ID
CP0383336
Compound Name
4-[(dimethylamino)methyl]-2-methyl-1H-benzimidazol-5-ol
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Structure
Formula
C11H15N3O
Molecular Weight
205.261
Canonical SMILES
CN(C)Cc1c(O)ccc2nc(C)[nH]c12
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InChI
InChI=1S/C11H15N3O/c1-7-12-9-4-5-10(15)8(6-14(2)3)11(9)13-7/h4-5,15H,6H2,1-3H3,(H,12,13)
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InChIKey
KOXFMYCKLMXBLJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.63852
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
52.15
Hydrogen Bond Donor Count
2
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: 761003
ChEMBL ID
CHEMBL2070835
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: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 25118.86 nM
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