General Information of the Compound
Compound ID
CP0387567
Compound Name
2-N-(2,4-dichloro-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine
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Structure
Formula
C19H22Cl2N4
Molecular Weight
377.319
Canonical SMILES
CCN(CC)c1cccc2nc(Nc3c(C)cc(Cl)cc3Cl)n(C)c12
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InChI
InChI=1S/C19H22Cl2N4/c1-5-25(6-2)16-9-7-8-15-18(16)24(4)19(22-15)23-17-12(3)10-13(20)11-14(17)21/h7-11H,5-6H2,1-4H3,(H,22,23)
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InChIKey
DNIFVZAZYCQCOK-UHFFFAOYSA-N
Physicochemical Property
logP
5.77832
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
33.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 145968300
ChEMBL ID
CHEMBL4225516
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18 nM
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