General Information of the Compound
Compound ID
CP0917210
Compound Name
(trans)-N-(1H-Benzo[d]imidazol-2-yl)-2-(3-chlorophenyl)cyclopropanecarboxamide
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Structure
Formula
C17H14ClN3O
Molecular Weight
311.772
Canonical SMILES
O=C(Nc1nc2ccccc2[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1
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InChI
InChI=1S/C17H14ClN3O/c18-11-5-3-4-10(8-11)12-9-13(12)16(22)21-17-19-14-6-1-2-7-15(14)20-17/h1-8,12-13H,9H2,(H2,19,20,21,22)/t12-,13+/m1/s1
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InChIKey
VAUJRAUBUNXESP-OLZOCXBDSA-N
Physicochemical Property
logP
3.9585
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 118736171
ChEMBL ID
CHEMBL3423100
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: PT06161, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 67000 nM
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