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

C16H13FN2O2 — CID 66558467

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)c1ccco1
InChIInChI=1S/C16H13FN2O2/c17-11-4-1-3-10-13-8-18-9-19(13)12(16(10)11)7-14(20)15-5-2-6-21-15/h1-6,8-9,12,14,20H,7H2
InChIKeyNDSJYFMKCXEXFW-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.31
Rot. Bonds3

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

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol (PubChem CID 66558467) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol
PubChem CID66558467
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)c1ccco1
InChIInChI=1S/C16H13FN2O2/c17-11-4-1-3-10-13-8-18-9-19(13)12(16(10)11)7-14(20)15-5-2-6-21-15/h1-6,8-9,12,14,20H,7H2
InChIKeyNDSJYFMKCXEXFW-UHFFFAOYSA-N
XLogP3.31
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.31
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-(furan-2-yl)ethanol?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol (CID 66558467) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol is OC(CC1c2c(F)cccc2-c2cncn21)c1ccco1.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol?
The InChIKey is NDSJYFMKCXEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-11-4-1-3-10-13-8-18-9-19(13)12(16(10)11)7-14(20)15-5-2-6-21-15/h1-6,8-9,12,14,20H,7H2.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(furan-2-yl)ethanol has a molecular weight of 284.29 g/mol, XLogP of 3.31, 3 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-(furan-2-yl)ethanol is sourced from PubChem (CID 66558467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).