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Molecule record

4-nitro-1H-benzimidazole

C7H5N3O2

163.14 g/mol

Loading structure

Molecular properties

Formula
C7H5N3O2
Molar mass
163.14 g·mol−1
Exact mass
163.0382 Da
7
PubChem CID
160949

Functional groups

Aromatic ring
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 10597-52-1
  • 1H-Benzimidazole, 4-nitro-
  • 1H-Benzimidazole,7-nitro-
  • 1H-Benzimidazole,7-nitro-(9CI)
  • 4(7)-Nitrobenzimidazole
  • 4-Nitro-1H-benzoimidazole
  • 4-Nitrobenzimidazole
  • 4-nitro-1H-1,3-benzodiazole
Show all 24 synonyms
  • 4-nitro-1H-benzo[d]imidazole
  • 4-nitro-benzimidazole
  • 69926-30-3
  • 7-nitro-1H-benzo[d]imidazole
  • 7-nitrobenzimidazole
  • AKOS004912664
  • BDBM50404937
  • Benzimidazole, 4(or 7)-nitro-
  • Benzimidazole, 4-nitro-
  • CHEMBL168387
  • DTXCID7069940
  • DTXSID00147449
  • EU-0067452
  • MFCD00220143
  • NEJMFSBXFBFELK-UHFFFAOYSA-N
  • RefChem:295060

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc2[nH]cnc12
Isomeric SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])N=CN2
InChI
InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-7(6)9-4-8-5/h1-4H,(H,8,9)
InChIKey
NEJMFSBXFBFELK-UHFFFAOYSA-N
PubChem CID
160949

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-nitro-1H-benzimidazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitro-1H-benzimidazole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record