2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine

C16H17ClF5N3O — CID 167670457

IUPAC2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
SMILESCCc1nc(C)c(Cl)n1-c1ncc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C16H17ClF5N3O/c1-4-12-24-9(3)13(17)25(12)14-11(26-15(18)19)6-10(7-23-14)5-8(2)16(20,21)22/h6-8,15H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyUAIXNCVPAHYNST-MRVPVSSYSA-N
MW397.78 g/mol
LogP5.13
Rot. Bonds6

About 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine

2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine (PubChem CID 167670457) has the molecular formula C16H17ClF5N3O and a molecular weight of 397.78 g/mol. Its IUPAC name is 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
PubChem CID167670457
Molecular FormulaC16H17ClF5N3O
Molecular Weight397.78 g/mol
Exact Mass397.10
IUPAC Name2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
SMILESCCc1nc(C)c(Cl)n1-c1ncc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C16H17ClF5N3O/c1-4-12-24-9(3)13(17)25(12)14-11(26-15(18)19)6-10(7-23-14)5-8(2)16(20,21)22/h6-8,15H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyUAIXNCVPAHYNST-MRVPVSSYSA-N
XLogP5.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.78
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine
CID 159762106
ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate
CID 146286644
2-(4-tert-butyl-2-ethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine;carbon dioxide
CID 159094098
5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2-methylpropyl)-2-pyridinyl]-2-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylsulfonylcyclohexyl]methyl]imidazole-4-carboxamide
CID 167578458
2-(2,4-diethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 153296428
5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide
CID 146286704
5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
CID 153296305
ethyl 4-chloro-5-[2-(difluoromethoxy)-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-methylpyrazole-3-carboxylate
CID 146287485
4-chloro-5-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881
ethyl 4-chloro-5-[2-(difluoromethoxy)-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1-ethylpyrazole-3-carboxylate
CID 146287706
1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide
CID 146286742
1-[5-butyl-3-(difluoromethoxy)-2-pyridinyl]-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]imidazole-4-carboxamide;1-[5-butyl-3-(difluoromethoxy)-2-pyridinyl]-5-chloro-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-1-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]imidazole-4-carboxamide;1-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide;1-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide;pentakis(sulfur dioxide)
CID 159892869

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine?
The IUPAC name of 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine (CID 167670457) is 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine.
What is the SMILES notation for 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine?
The canonical SMILES for 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine is CCc1nc(C)c(Cl)n1-c1ncc(C[C@@H](C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine?
The InChIKey is UAIXNCVPAHYNST-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H17ClF5N3O/c1-4-12-24-9(3)13(17)25(12)14-11(26-15(18)19)6-10(7-23-14)5-8(2)16(20,21)22/h6-8,15H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine?
2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine has a molecular weight of 397.78 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine is sourced from PubChem (CID 167670457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).