2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone

C22H23FN2O2 — CID 122499030

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone
SMILESO=C(CC1c2c(F)cccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C22H23FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,21,27H,4-9H2
InChIKeyOMYGLOYQPKLDIN-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.74
Rot. Bonds3

About 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone (PubChem CID 122499030) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone
PubChem CID122499030
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone
SMILESO=C(CC1c2c(F)cccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C22H23FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,21,27H,4-9H2
InChIKeyOMYGLOYQPKLDIN-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone (CID 122499030) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone is O=C(CC1c2c(F)cccc2-c2cncn21)C12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone?
The InChIKey is OMYGLOYQPKLDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,21,27H,4-9H2.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone has a molecular weight of 366.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-adamantyl)ethanone is sourced from PubChem (CID 122499030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).