2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol

C16H17FN2O — CID 129282641

IUPAC2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C16H17FN2O/c17-10-5-6-11-13(7-10)14-8-18-9-19(14)16(11)12-3-1-2-4-15(12)20/h5-9,12,15-16,20H,1-4H2
InChIKeyHCSSHZJNTHXWER-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.14
Rot. Bonds1

About 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol

2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol (PubChem CID 129282641) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
PubChem CID129282641
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C16H17FN2O/c17-10-5-6-11-13(7-10)14-8-18-9-19(14)16(11)12-3-1-2-4-15(12)20/h5-9,12,15-16,20H,1-4H2
InChIKeyHCSSHZJNTHXWER-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
The IUPAC name of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol (CID 129282641) is 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol is OC1CCCCC1C1c2ccc(F)cc2-c2cncn21.
What is the InChIKey of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
The InChIKey is HCSSHZJNTHXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-10-5-6-11-13(7-10)14-8-18-9-19(14)16(11)12-3-1-2-4-15(12)20/h5-9,12,15-16,20H,1-4H2.
What are the key properties of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol has a molecular weight of 272.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 129282641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).