General Information of the Compound
Compound ID
CP0415494
Compound Name
(1H-Benzoimidazol-2-yl)-{4-[(5H-imidazol-1-yl)-phenyl-methyl]-phenyl}-amine
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Structure
Formula
C23H19N5
Molecular Weight
365.44
Canonical SMILES
N(c1nc2ccccc2[nH]1)c1ccc(cc1)C(c1ccccc1)n1ccnc1
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InChI
InChI=1S/C23H19N5/c1-2-6-17(7-3-1)22(28-15-14-24-16-28)18-10-12-19(13-11-18)25-23-26-20-8-4-5-9-21(20)27-23/h1-16,22H,(H2,25,26,27)
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InChIKey
ZZMMQVBQBSLCLI-UHFFFAOYSA-N
Physicochemical Property
logP
5.1407
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
58.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 44569196
ChEMBL ID
CHEMBL462468
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: PT02999, Cytochrome P450 26A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 2500 nM
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