2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol

C22H23FN2O2 — CID 134257910

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)C1CCC(c2ccoc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-18-3-1-2-17-20-11-24-13-25(20)19(22(17)18)10-21(26)15-6-4-14(5-7-15)16-8-9-27-12-16/h1-3,8-9,11-15,19,21,26H,4-7,10H2
InChIKeyHIXACIWZQOUZBR-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.91
Rot. Bonds4

About 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol (PubChem CID 134257910) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol
PubChem CID134257910
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)C1CCC(c2ccoc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-18-3-1-2-17-20-11-24-13-25(20)19(22(17)18)10-21(26)15-6-4-14(5-7-15)16-8-9-27-12-16/h1-3,8-9,11-15,19,21,26H,4-7,10H2
InChIKeyHIXACIWZQOUZBR-UHFFFAOYSA-N
XLogP4.91
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol (CID 134257910) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol is OC(CC1c2c(F)cccc2-c2cncn21)C1CCC(c2ccoc2)CC1.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol?
The InChIKey is HIXACIWZQOUZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-3-1-2-17-20-11-24-13-25(20)19(22(17)18)10-21(26)15-6-4-14(5-7-15)16-8-9-27-12-16/h1-3,8-9,11-15,19,21,26H,4-7,10H2.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol has a molecular weight of 366.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanol is sourced from PubChem (CID 134257910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).