General Information of the Compound
Compound ID
CP0468053
Compound Name
2-arylbenzimidazole derivative, 8
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Structure
Formula
C26H36N4O
Molecular Weight
420.601
Canonical SMILES
CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
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InChI
InChI=1S/C26H36N4O/c1-19-17-20(25-27-22-9-8-21(26(2,3)4)18-23(22)28-25)7-10-24(19)31-16-6-11-30-14-12-29(5)13-15-30/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,28)
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InChIKey
BUXJCSKEQCGFQR-UHFFFAOYSA-N
Physicochemical Property
logP
4.85212
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
44.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 11189343
SID: 16270368
ChEMBL ID
CHEMBL387342
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 26 nM
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