5-methyl-4-nitro-1H-benzimidazole
Basic information
- Standard SMILES
Cc1ccc2[nH]cnc2c1[N+](=O)[O-]- InChIKey
ZEVSEZPXSDDVOX-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
Names & identifiers
- Preferred name
- 5-methyl-4-nitro-1H-benzimidazole
- IUPAC
- 5-methyl-4-nitro-1H-benzimidazole
Names & synonyms
5-methyl-4-nitro-1H-benzimidazole6-methyl-7-nitro-1H-benzimidazole32046-84-75-methyl-4-nitro-benzimidazole1H-benzimidazole, 5-methyl-4-nitro-Oprea1_230632Oprea1_2871224-nitro-5-methyl-benzimidazoleSCHEMBL2888148SCHEMBL4608324ZEVSEZPXSDDVOX-UHFFFAOYSA-NALBB-036600
Show more names
5-Methyl-4-nitro-1H-benzoimidazoleSTK295312AKOS000298431DA-06921H49359
Database identifiers
- PubChem CID
- 3902452
- Nikkaji
- J1.065.142E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Related reactions
3 records
Compound notes
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