General Information of the Compound
Compound ID
CP0529147
Compound Name
1-benzyl-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylbenzimidazole-2-carboxamide
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Structure
Formula
C26H25N5O
Molecular Weight
423.52
Canonical SMILES
CN(Cc1ccc(cc1)C1=NCCN1)C(=O)c1nc2ccccc2n1Cc1ccccc1
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InChI
InChI=1S/C26H25N5O/c1-30(17-20-11-13-21(14-12-20)24-27-15-16-28-24)26(32)25-29-22-9-5-6-10-23(22)31(25)18-19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,27,28)
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InChIKey
ZHWYOLRXGFKAQG-UHFFFAOYSA-N
Physicochemical Property
logP
3.7066
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
62.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 44579766
ChEMBL ID
CHEMBL523773
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: PT06059, B1 bradykinin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1016 nM
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