2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine

C19H24F5N3O — CID 153296428

IUPAC2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
SMILESCCc1nc(CC)n(-c2ncc(CC(C)(C)C(F)(F)F)cc2OC(F)F)c1C
InChIInChI=1S/C19H24F5N3O/c1-6-13-11(3)27(15(7-2)26-13)16-14(28-17(20)21)8-12(10-25-16)9-18(4,5)19(22,23)24/h8,10,17H,6-7,9H2,1-5H3
InChIKeyZDPNRNPDHIMHPX-UHFFFAOYSA-N
MW405.41 g/mol
LogP5.43
Rot. Bonds7

About 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine

2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine (PubChem CID 153296428) has the molecular formula C19H24F5N3O and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
PubChem CID153296428
Molecular FormulaC19H24F5N3O
Molecular Weight405.41 g/mol
Exact Mass405.18
IUPAC Name2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
SMILESCCc1nc(CC)n(-c2ncc(CC(C)(C)C(F)(F)F)cc2OC(F)F)c1C
InChIInChI=1S/C19H24F5N3O/c1-6-13-11(3)27(15(7-2)26-13)16-14(28-17(20)21)8-12(10-25-16)9-18(4,5)19(22,23)24/h8,10,17H,6-7,9H2,1-5H3
InChIKeyZDPNRNPDHIMHPX-UHFFFAOYSA-N
XLogP5.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.41
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-2-ethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine;carbon dioxide
CID 159094098
ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate
CID 146286644
2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 167670457
carbon dioxide;2-[3-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,5-diethylimidazol-4-yl]ethynyl-trimethylsilane
CID 157148319
3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine
CID 159762106
1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole
CID 153296549
ethyl 4-chloro-5-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-1-ethylpyrazole-3-carboxylate
CID 146285918
5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286493
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
ethyl 5-cyano-1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole-4-carboxylate
CID 146286616
2,5-diethyl-3-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carbonitrile
CID 153296360
1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide
CID 146286742

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The IUPAC name of 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine (CID 153296428) is 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The canonical SMILES for 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine is CCc1nc(CC)n(-c2ncc(CC(C)(C)C(F)(F)F)cc2OC(F)F)c1C.
What is the InChIKey of 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The InChIKey is ZDPNRNPDHIMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F5N3O/c1-6-13-11(3)27(15(7-2)26-13)16-14(28-17(20)21)8-12(10-25-16)9-18(4,5)19(22,23)24/h8,10,17H,6-7,9H2,1-5H3.
What are the key properties of 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine has a molecular weight of 405.41 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 153296428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).