4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one

C18H19FN2O2 — CID 123607424

IUPAC4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one
SMILESO=C1CCC(CC(O)c2c3c(c4cncn24)=CC=CC3F)CC1
InChIInChI=1S/C18H19FN2O2/c19-14-3-1-2-13-15-9-20-10-21(15)18(17(13)14)16(23)8-11-4-6-12(22)7-5-11/h1-3,9-11,14,16,23H,4-8H2
InChIKeyNMHJELUIPLCMGC-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.60
Rot. Bonds3

About 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one

4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one (PubChem CID 123607424) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one
PubChem CID123607424
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one
SMILESO=C1CCC(CC(O)c2c3c(c4cncn24)=CC=CC3F)CC1
InChIInChI=1S/C18H19FN2O2/c19-14-3-1-2-13-15-9-20-10-21(15)18(17(13)14)16(23)8-11-4-6-12(22)7-5-11/h1-3,9-11,14,16,23H,4-8H2
InChIKeyNMHJELUIPLCMGC-UHFFFAOYSA-N
XLogP2.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one 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 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one (CID 123607424) is 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one is O=C1CCC(CC(O)c2c3c(c4cncn24)=CC=CC3F)CC1.
What is the InChIKey of 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one?
The InChIKey is NMHJELUIPLCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-14-3-1-2-13-15-9-20-10-21(15)18(17(13)14)16(23)8-11-4-6-12(22)7-5-11/h1-3,9-11,14,16,23H,4-8H2.
What are the key properties of 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one?
4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one has a molecular weight of 314.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one is sourced from PubChem (CID 123607424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).