Basic information
- CAS
199594-81-5- Standard SMILES
Cc1cccc2c1nc(CO)n2Cc1c(F)cccc1F- InChIKey
ICUYCZJMCOJKBO-UHFFFAOYSA-N- Molecular formula
- C16H14F2N2O
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.10741951
Names & identifiers
- Preferred name
- (1-((2,6-Difluorophenyl)methyl)-4-methylbenzimidazol-2-yl)methan-1-ol
- IUPAC
- [1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazol-2-yl]methanol
- English name
- (1-((2,6-Difluorophenyl)methyl)-4-methylbenzimidazol-2-yl)methan-1-ol
- Molecular formula
- C16H14F2N2O
- Molecular weight
- 288.29
Names & synonyms
199594-81-5(1-((2,6-Difluorophenyl)methyl)-4-methylbenzimidazol-2-yl)methan-1-ol1-(2,6-Difluorobenzyl)-2-(hydroxymethyl)-4-methylbenzimidazole[1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazol-2-yl]methanol1H-Benzimidazole-2-methanol, 1-((2,6-difluorophenyl)methyl)-4-methyl-(1-(2,6-Difluorobenzyl)-4-methyl-1H-benzo[d]imidazol-2-yl)methanol1H-Benzimidazole-2-methanol, 1-[(2,6-difluorophenyl)methyl]-4-methyl-ICUYCZJMCOJKBO-UHFFFAOYSA-NCHEMBL341387SCHEMBL5203556DTXSID201737401-(2,6-Difluorobenzyl)-2-Hydroxymethyl-4-Methylbenzimidazole
Show more names
[1-[(2,6-difluorophenyl)methyl]-4-methyl-benzimidazol-2-yl]methanol{1-[(2,6-Difluorophenyl)methyl]-4-methyl-1H-1,3-benzimidazol-2-yl}methanol
Database identifiers
- CAS
199594-81-5- PubChem CID
- 468845
- DTXSID
DTXSID20173740- ChEMBL
CHEMBL341387- Nikkaji
- J925.397A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 470.8 · 470.8±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 13.67 · 13.67±0.10(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
5 records
Compound notes
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