1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole

C19H23F5N2O — CID 153296549

IUPAC1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole
SMILESCCc1cn(-c2ccc(CC(C)(C)C(F)(F)F)cc2OC(F)F)c(CC)n1
InChIInChI=1S/C19H23F5N2O/c1-5-13-11-26(16(6-2)25-13)14-8-7-12(9-15(14)27-17(20)21)10-18(3,4)19(22,23)24/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyRVYOVKYKTJMZMK-UHFFFAOYSA-N
MW390.40 g/mol
LogP5.73
Rot. Bonds7

About 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole

1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole (PubChem CID 153296549) has the molecular formula C19H23F5N2O and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole
PubChem CID153296549
Molecular FormulaC19H23F5N2O
Molecular Weight390.40 g/mol
Exact Mass390.17
IUPAC Name1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole
SMILESCCc1cn(-c2ccc(CC(C)(C)C(F)(F)F)cc2OC(F)F)c(CC)n1
InChIInChI=1S/C19H23F5N2O/c1-5-13-11-26(16(6-2)25-13)14-8-7-12(9-15(14)27-17(20)21)10-18(3,4)19(22,23)24/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyRVYOVKYKTJMZMK-UHFFFAOYSA-N
XLogP5.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole
CID 161311196
carbon dioxide;2-[3-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,5-diethylimidazol-4-yl]ethynyl-trimethylsilane
CID 157148319
1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
CID 153296369
ethyl 5-cyano-1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole-4-carboxylate
CID 146286616
2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 153296428
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-ethyl-5-ethynyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286503
2,5-diethyl-3-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carbonitrile
CID 153296360
4-[4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-3-ethylpyrazol-1-yl]butanenitrile
CID 153296255
2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]imidazole-4-carboxylic acid
CID 175791254
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
2-ethyl-5-fluoro-N-[(4-methylcyclohexyl)methyl]-1-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carboxamide
CID 153296376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole?
The IUPAC name of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole (CID 153296549) is 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole is CCc1cn(-c2ccc(CC(C)(C)C(F)(F)F)cc2OC(F)F)c(CC)n1.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole?
The InChIKey is RVYOVKYKTJMZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F5N2O/c1-5-13-11-26(16(6-2)25-13)14-8-7-12(9-15(14)27-17(20)21)10-18(3,4)19(22,23)24/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole?
1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole has a molecular weight of 390.40 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,4-diethylimidazole is sourced from PubChem (CID 153296549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).