7-Nitro-2-pyridin-2-yl-1-(2-pyridin-2-ylethyl)benzimidazole
Basic information
- CAS
80477-86-7- Standard SMILES
O=[N+]([O-])c1cccc2nc(-c3ccccn3)n(CCc3ccccn3)c12- InChIKey
VLQFGKQCFCPULE-UHFFFAOYSA-N- Molecular formula
- C19H15N5O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.12257474
Names & identifiers
- Preferred name
- 7-Nitro-2-pyridin-2-yl-1-(2-pyridin-2-ylethyl)benzimidazole
- IUPAC
- 7-nitro-2-pyridin-2-yl-1-(2-pyridin-2-ylethyl)benzimidazole
Names & synonyms
NSC35678380477-86-7DTXSID30320248NSC-3567837-Nitro-2-(pyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
80477-86-7- PubChem CID
- 337745
- DTXSID
DTXSID30320248
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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