Basic information
- Standard SMILES
OC[C@H]1O[C@@H](n2c(Cl)nc3cc(F)c(F)cc32)[C@H](O)[C@@H]1O- InChIKey
ITDJEYVPFRMYES-GWOFURMSSA-N- Molecular formula
- C12H11ClF2N2O4
- Average molar mass
- 320.67 g/mol
- Monoisotopic mass
- 320.0375409
Names & identifiers
- Preferred name
- 2-Chloro-5,6-difluoro-1-(beta-D-ribofuranosyl)benzimidazole
- IUPAC
- (2R,3R,4S,5R)-2-(2-chloro-5,6-difluorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
2-Chloro-5,6-difluoro-1-(beta-D-ribofuranosyl)benzimidazoleSCHEMBL8174766ITDJEYVPFRMYES-GWOFURMSSA-N2-Chloro-5,6-difluoro-1-.beta.-D-ribofuranosylbenzimidazole(2R,3R,4S,5R)-2-(2-chloro-5,6-difluoro-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Database identifiers
- PubChem CID
- 469423
- Nikkaji
- J813.772B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
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