2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol

C16H15FN4O — CID 70874209

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)CC1c2c(F)cccc2-c2cncn21
InChIInChI=1S/C16H15FN4O/c1-20-8-18-7-14(20)15(22)5-12-16-10(3-2-4-11(16)17)13-6-19-9-21(12)13/h2-4,6-9,12,15,22H,5H2,1H3
InChIKeySHRFEOBHMXWKSI-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.45
Rot. Bonds3

About 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 70874209) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol
PubChem CID70874209
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)CC1c2c(F)cccc2-c2cncn21
InChIInChI=1S/C16H15FN4O/c1-20-8-18-7-14(20)15(22)5-12-16-10(3-2-4-11(16)17)13-6-19-9-21(12)13/h2-4,6-9,12,15,22H,5H2,1H3
InChIKeySHRFEOBHMXWKSI-UHFFFAOYSA-N
XLogP2.45
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol (CID 70874209) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol is Cn1cncc1C(O)CC1c2c(F)cccc2-c2cncn21.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is SHRFEOBHMXWKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-20-8-18-7-14(20)15(22)5-12-16-10(3-2-4-11(16)17)13-6-19-9-21(12)13/h2-4,6-9,12,15,22H,5H2,1H3.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 298.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 70874209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).