1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol

C18H21FN2O — CID 123977037

IUPAC1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOC(Cc1c2c(c3cncn13)=CC(F)=CC2)C1CCCCC1
InChIInChI=1S/C18H21FN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6,8,10-12,18,22H,1-5,7,9H2
InChIKeyHGTCAKNAUMFWLW-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.73
Rot. Bonds3

About 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol

1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol (PubChem CID 123977037) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
PubChem CID123977037
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOC(Cc1c2c(c3cncn13)=CC(F)=CC2)C1CCCCC1
InChIInChI=1S/C18H21FN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6,8,10-12,18,22H,1-5,7,9H2
InChIKeyHGTCAKNAUMFWLW-UHFFFAOYSA-N
XLogP2.73
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The IUPAC name of 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol (CID 123977037) is 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol is OC(Cc1c2c(c3cncn13)=CC(F)=CC2)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The InChIKey is HGTCAKNAUMFWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6,8,10-12,18,22H,1-5,7,9H2.
What are the key properties of 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol has a molecular weight of 300.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(8-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol is sourced from PubChem (CID 123977037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).