General Information of the Compound
Compound ID
CP0374374
Compound Name
4,5-Dibenzyl-1H-imidazol-2-ylamine
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Structure
Formula
C17H17N3
Molecular Weight
263.344
Canonical SMILES
Nc1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1
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InChI
InChI=1S/C17H17N3/c18-17-19-15(11-13-7-3-1-4-8-13)16(20-17)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19,20)
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InChIKey
DBKZEJXYOKAKBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.1735
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 44341265
ChEMBL ID
CHEMBL116278
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: PT01801, Leukotriene B4 receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
Ki = 9000 nM
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