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Basic information
- Standard SMILES
COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC- InChIKey
VEIKFDKHUBMRBI-XBXARRHUSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
- Monoisotopic mass
- 325.10625597
Names & identifiers
- Preferred name
- 2-[2-(3,4-Dimethoxy-phenyl)-vinyl]-5-nitro-1H-benzimidazole
- IUPAC
- 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-nitro-1H-benzimidazole
Names & synonyms
CHEMBL577399SCHEMBL7621043VEIKFDKHUBMRBI-XBXARRHUSA-N2-[2-(3,4-Dimethoxy-phenyl)-vinyl]-5-nitro-1H-benzimidazole(E)-2-[2-(3,4-Dimethoxyphenyl)-vinyl]-5-nitro-1H-benzoimidazole2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-5-nitro-1H-benzimidazole
Database identifiers
- PubChem CID
- 9883758
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 467
Related reactions
1 records
Compound notes
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