2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine
Basic information
- CAS
6953-74-8- Standard SMILES
NC(=NCc1nc2ccccc2[nH]1)N[N+](=O)[O-]- InChIKey
JHLLIUWROFEAJL-UHFFFAOYSA-N- Molecular formula
- C9H10N6O2
- Average molar mass
- 234.22 g/mol
- Monoisotopic mass
- 234.08652358
Names & identifiers
- Preferred name
- 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine
- IUPAC
- 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine
Names & synonyms
6953-74-82-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidineDTXSID90328604NSC39281NSC-39281N''-[(1H-1,3-Benzimidazol-2-yl)methyl]-N-nitroguanidine
Database identifiers
- CAS
6953-74-8- PubChem CID
- 412369
- DTXSID
DTXSID90328604
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
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Compound notes
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