General Information of the Compound
Compound ID
CP0470591
Compound Name
N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine
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Structure
Formula
C15H17N3O
Molecular Weight
255.321
Canonical SMILES
CCCn1c(NCc2ccco2)nc2ccccc12
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InChI
InChI=1S/C15H17N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h3-8,10H,2,9,11H2,1H3,(H,16,17)
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InChIKey
NGLVIFBDNDEZEJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6514
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
42.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 924071
ChEMBL ID
CHEMBL1521914
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: PT04622, Short transient receptor potential channel 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  1
1
IC50 = 15500 nM
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