1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen

C20H25FN2O3 — CID 145029532

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen

1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen (PubChem CID 145029532) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen
• PubChem CID: 145029532
• Molecular Formula: C20H25FN2O3
• Molecular Weight: 360.43 g/mol
• Exact Mass: 360.18
• IUPAC Name: 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen
• SMILES: OC(CC1c2c(F)cccc2-c2cncn21)C1CCC2(CC1)OCCO2.[H][H]
• InChI: InChI=1S/C20H23FN2O3.H2/c21-15-3-1-2-14-17-11-22-12-23(17)16(19(14)15)10-18(24)13-4-6-20(7-5-13)25-8-9-26-20;/h1-3,11-13,16,18,24H,4-10H2;1H
• InChIKey: OBIJABUQKVHRSV-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.43
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen?

The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen (CID 145029532) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen.

What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen?

The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen is OC(CC1c2c(F)cccc2-c2cncn21)C1CCC2(CC1)OCCO2.[H][H].

What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen?

The InChIKey is OBIJABUQKVHRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3.H2/c21-15-3-1-2-14-17-11-22-12-23(17)16(19(14)15)10-18(24)13-4-6-20(7-5-13)25-8-9-26-20;/h1-3,11-13,16,18,24H,4-10H2;1H.

What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen?

1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen has a molecular weight of 360.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;molecular hydrogen is sourced from PubChem (CID 145029532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).