4-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

HCID 22036872CAS 475111-38-7

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Basic information

Standard SMILES: FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1
InChIKey: AJQZNMCGFMDKGJ-UHFFFAOYSA-N
Molecular formula: C15H13ClF2N6O
Average molar mass: 366.75 g/mol
Monoisotopic mass: 366.08074316

Names & identifiers

Preferred name: 4-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine
IUPAC: 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
English name: 4-(4-Chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine
Molecular formula: C15H13ClF2N6O
Molecular weight: 366.75

Names & synonyms

475111-38-74-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholineMFCD106987364-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine1-(4-chloro-6-morpholino-1,3,5-triazin-2-yl)-2-(difluoromethyl)-1H-benzo[d]imidazole1-[4-Chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-benzimidazole1-[4-chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-benzimidazole4-(4-Chloro-6-(2-(difluoromethyl)-1H-benzo[d]-imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine4-[4-Chloro-6-[2-(difluoromethyl)-1-benzimidazolyl]-1,3,5-triazin-2-yl]morpholineC15H13ClF2N6O-1,3,5-triazin-2-yl)SCHEMBL477634

Show more names

Oxazole,2-(chloromethyl)-8-methyl-Ethanone,2-bromo-1-[7-(trifluoromethyl)phenyl]-1-[4-chloro-6-(Morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoroMethyl)-1H-1,3-be1H-Benzimidazole, 1-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-

-1H-benzo[d]imidazol-1-yl)SCHEMBL29434918DTXSID00621890CS-B0298EOS-60790AKOS0051459964-(4-Chloro-6-(2-(difluoromethyl)EX-3330

Database identifiers

CAS: 475111-38-7
PubChem CID: 22036872
DTXSID: DTXSID00621890

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 69 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 458

Physicochemical properties

Melting point: 230 · 230-231 °C(Solv: ethanol (64-17-5))
Boiling point: 583 · 583.0±60.0 °C(Predicted)
Density: 1.65 · 1.65±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1.53 · 1.53±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 231 · P231-P222-P305+P351+P338-P403+P233-P422-P501