3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine

C16H18F5N3O — CID 159762106

IUPAC3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine
SMILESCCc1ncc(C)n1-c1ncc(CC(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C16H18F5N3O/c1-4-13-22-7-10(3)24(13)14-12(25-15(17)18)6-11(8-23-14)5-9(2)16(19,20)21/h6-9,15H,4-5H2,1-3H3
InChIKeyKXYBDPRSQCRWAL-UHFFFAOYSA-N
MW363.33 g/mol
LogP4.48
Rot. Bonds6

About 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine

3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine (PubChem CID 159762106) has the molecular formula C16H18F5N3O and a molecular weight of 363.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine
PubChem CID159762106
Molecular FormulaC16H18F5N3O
Molecular Weight363.33 g/mol
Exact Mass363.14
IUPAC Name3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine
SMILESCCc1ncc(C)n1-c1ncc(CC(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C16H18F5N3O/c1-4-13-22-7-10(3)24(13)14-12(25-15(17)18)6-11(8-23-14)5-9(2)16(19,20)21/h6-9,15H,4-5H2,1-3H3
InChIKeyKXYBDPRSQCRWAL-UHFFFAOYSA-N
XLogP4.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine?
The IUPAC name of 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine (CID 159762106) is 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine?
The canonical SMILES for 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine is CCc1ncc(C)n1-c1ncc(CC(C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine?
The InChIKey is KXYBDPRSQCRWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F5N3O/c1-4-13-22-7-10(3)24(13)14-12(25-15(17)18)6-11(8-23-14)5-9(2)16(19,20)21/h6-9,15H,4-5H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine?
3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine has a molecular weight of 363.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine is sourced from PubChem (CID 159762106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).