1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C18H17FN2O2 — CID 70914217

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESCc1cc(C(O)CC2c3c(F)cccc3-c3cncn32)c(C)o1
InChIInChI=1S/C18H17FN2O2/c1-10-6-13(11(2)23-10)17(22)7-15-18-12(4-3-5-14(18)19)16-8-20-9-21(15)16/h3-6,8-9,15,17,22H,7H2,1-2H3
InChIKeyBMICWQXECZNFSX-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.93
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 70914217) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID70914217
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESCc1cc(C(O)CC2c3c(F)cccc3-c3cncn32)c(C)o1
InChIInChI=1S/C18H17FN2O2/c1-10-6-13(11(2)23-10)17(22)7-15-18-12(4-3-5-14(18)19)16-8-20-9-21(15)16/h3-6,8-9,15,17,22H,7H2,1-2H3
InChIKeyBMICWQXECZNFSX-UHFFFAOYSA-N
XLogP3.93
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 70914217) is 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is Cc1cc(C(O)CC2c3c(F)cccc3-c3cncn32)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is BMICWQXECZNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-10-6-13(11(2)23-10)17(22)7-15-18-12(4-3-5-14(18)19)16-8-20-9-21(15)16/h3-6,8-9,15,17,22H,7H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 312.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 70914217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).