2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone

C22H21FN2O2 — CID 134257820

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone
SMILESO=C(CC1c2c(F)cccc2-c2cncn21)C1CCC(c2ccoc2)CC1
InChIInChI=1S/C22H21FN2O2/c23-18-3-1-2-17-20-11-24-13-25(20)19(22(17)18)10-21(26)15-6-4-14(5-7-15)16-8-9-27-12-16/h1-3,8-9,11-15,19H,4-7,10H2
InChIKeyOGYAIZWPQBCGQS-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.12
Rot. Bonds4

About 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone (PubChem CID 134257820) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone
PubChem CID134257820
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone
SMILESO=C(CC1c2c(F)cccc2-c2cncn21)C1CCC(c2ccoc2)CC1
InChIInChI=1S/C22H21FN2O2/c23-18-3-1-2-17-20-11-24-13-25(20)19(22(17)18)10-21(26)15-6-4-14(5-7-15)16-8-9-27-12-16/h1-3,8-9,11-15,19H,4-7,10H2
InChIKeyOGYAIZWPQBCGQS-UHFFFAOYSA-N
XLogP5.12
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[4-(furan-3-yl)cyclohexyl]ethanone?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone (CID 134257820) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone is O=C(CC1c2c(F)cccc2-c2cncn21)C1CCC(c2ccoc2)CC1.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone?
The InChIKey is OGYAIZWPQBCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-3-1-2-17-20-11-24-13-25(20)19(22(17)18)10-21(26)15-6-4-14(5-7-15)16-8-9-27-12-16/h1-3,8-9,11-15,19H,4-7,10H2.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(furan-3-yl)cyclohexyl]ethanone has a molecular weight of 364.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 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-(furan-3-yl)cyclohexyl]ethanone is sourced from PubChem (CID 134257820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).