1-((2,6-Difluorophenyl)methyl)-2-methylbenzimidazole
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Basic information
- CAS
199594-68-8- Standard SMILES
Cc1nc2ccccc2n1Cc1c(F)cccc1F- InChIKey
YNPAZAWNADNDRF-UHFFFAOYSA-N- Molecular formula
- C15H12F2N2
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.09685472
Names & identifiers
- Preferred name
- 1-((2,6-Difluorophenyl)methyl)-2-methylbenzimidazole
- IUPAC
- 1-[(2,6-difluorophenyl)methyl]-2-methylbenzimidazole
- English name
- 1-((2,6-Difluorophenyl)methyl)-2-methylbenzimidazole
- Molecular formula
- C15H12F2N2
- Molecular weight
- 258.27
Names & synonyms
199594-68-81-((2,6-Difluorophenyl)methyl)-2-methylbenzimidazole1-(2,6-Difluorobenzyl)-2-methylbenzimidazole1-[(2,6-difluorophenyl)methyl]-2-methylbenzimidazole1H-Benzimidazole, 1-((2,6-difluorophenyl)methyl)-2-methyl-1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-2-methyl-1-(2,6-difluorobenzyl)-2-methyl-1h-benzimidazoleCHEMBL135706SCHEMBL5204026DTXSID301737361-[(2,6-difluorophenyl)methyl]-2-methyl-benzimidazole1-[(2,6-Difluorophenyl)methyl]-2-methyl-1H-1,3-benzimidazole
Database identifiers
- CAS
199594-68-8- PubChem CID
- 468844
- DTXSID
DTXSID30173736- ChEMBL
CHEMBL135706- Nikkaji
- J925.385H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 410.6 · 410.6±35.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 4.97 · 4.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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