General Information of the Compound
Compound ID
CP0340527
Compound Name
N-(1H-benzimidazol-2-yl)-3-nitrobenzamide
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Synonyms
3-nitro-N-(1H-benzoimidazol-2-yl)-benzamide
301675-24-1
AC1MTB3N
AKOS001141441
AKOS001825502
BDBM50184701
CHEMBL210658
CS-13909
CS-M1436
Cambridge id 7283005
KB-78995
MCULE-1403873826
MLS000418401
MolPort-001-543-036
MolPort-007-653-805
N-(1H-benzimidazol-2-yl)-3-nitrobenzamide
N-(1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide
N-benzimidazol-2-yl(3-nitrophenyl)carboxamide
Oprea1_144350
Oprea1_384876
QPKROMNIEAEFQA-UHFFFAOYSA-N
SCHEMBL3597174
SMR000264931
ST50927847
STK433528
ZINC5033955
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Structure
Formula
C14H10N4O3
Molecular Weight
282.259
Canonical SMILES
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
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InChI
InChI=1S/C14H10N4O3/c19-13(9-4-3-5-10(8-9)18(20)21)17-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H2,15,16,17,19)
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InChIKey
QPKROMNIEAEFQA-UHFFFAOYSA-N
Physicochemical Property
logP
2.7234
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
100.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 3572750
ChEMBL ID
CHEMBL210658
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 29000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide )
Drug Name N-(1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide
Target(s)
IRAK4 messenger RNA (IRAK4 mRNA)
 Target Info 
Inhibitor