2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol

C18H19FN2O — CID 123470978

IUPAC2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOCC(c1c2c(c3cncn13)=CC=CC2F)C1CC=CCC1
InChIInChI=1S/C18H19FN2O/c19-15-8-4-7-13-16-9-20-11-21(16)18(17(13)15)14(10-22)12-5-2-1-3-6-12/h1-2,4,7-9,11-12,14-15,22H,3,5-6,10H2
InChIKeyNIWWMLVXEYOSIZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.85
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol

2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol (PubChem CID 123470978) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
PubChem CID123470978
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOCC(c1c2c(c3cncn13)=CC=CC2F)C1CC=CCC1
InChIInChI=1S/C18H19FN2O/c19-15-8-4-7-13-16-9-20-11-21(16)18(17(13)15)14(10-22)12-5-2-1-3-6-12/h1-2,4,7-9,11-12,14-15,22H,3,5-6,10H2
InChIKeyNIWWMLVXEYOSIZ-UHFFFAOYSA-N
XLogP2.85
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol (CID 123470978) is 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol is OCC(c1c2c(c3cncn13)=CC=CC2F)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The InChIKey is NIWWMLVXEYOSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-8-4-7-13-16-9-20-11-21(16)18(17(13)15)14(10-22)12-5-2-1-3-6-12/h1-2,4,7-9,11-12,14-15,22H,3,5-6,10H2.
What are the key properties of 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol has a molecular weight of 298.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol is sourced from PubChem (CID 123470978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).