General Information of the Compound
Compound ID
CP0481297
Compound Name
5-fluoro-2-(pyridin-2-yl)-1-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)-1H-benzo[d]imidazole
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Structure
Formula
C25H25FN4O
Molecular Weight
416.5
Canonical SMILES
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCC2)cc1
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InChI
InChI=1S/C25H25FN4O/c26-19-7-12-24-23(18-19)28-25(22-6-1-2-13-27-22)30(24)20-8-10-21(11-9-20)31-17-5-16-29-14-3-4-15-29/h1-2,6-13,18H,3-5,14-17H2
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InChIKey
WBDLFFDMNWEVTM-UHFFFAOYSA-N
Physicochemical Property
logP
5.0913
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
43.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 11560724
SID: 16662971
ChEMBL ID
CHEMBL497147
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.2 nM
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