4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one

C18H19FN2O — CID 118917009

IUPAC4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(F)(CCC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C18H19FN2O/c19-18(8-5-13(22)6-9-18)10-7-16-14-3-1-2-4-15(14)17-11-20-12-21(16)17/h1-4,11-12,16H,5-10H2
InChIKeySDMXOGJIOPGKHJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.08
Rot. Bonds3

About 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one

4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one (PubChem CID 118917009) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one
PubChem CID118917009
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(F)(CCC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C18H19FN2O/c19-18(8-5-13(22)6-9-18)10-7-16-14-3-1-2-4-15(14)17-11-20-12-21(16)17/h1-4,11-12,16H,5-10H2
InChIKeySDMXOGJIOPGKHJ-UHFFFAOYSA-N
XLogP4.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one?
The IUPAC name of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one (CID 118917009) is 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one is O=C1CCC(F)(CCC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one?
The InChIKey is SDMXOGJIOPGKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-18(8-5-13(22)6-9-18)10-7-16-14-3-1-2-4-15(14)17-11-20-12-21(16)17/h1-4,11-12,16H,5-10H2.
What are the key properties of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one?
4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one has a molecular weight of 298.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 118917009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).