General Information of the Compound
Compound ID
CP0411604
Compound Name
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
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Structure
Formula
C10H11FN2
Molecular Weight
178.21
Canonical SMILES
Cc1ccc(F)c(c1)C1=NCCN1
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InChI
InChI=1S/C10H11FN2/c1-7-2-3-9(11)8(6-7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
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InChIKey
NXWHIOQBGWJKSH-UHFFFAOYSA-N
Physicochemical Property
logP
1.48392
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 10374995
SID: 15389036
ChEMBL ID
CHEMBL268734
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 5.3 nM
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