6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole

C15H15FN2O — CID 155550907

IUPAC6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCOCC1)n1cncc1-2
InChIInChI=1S/C15H15FN2O/c16-12-3-1-2-11-13-8-17-9-18(13)15(14(11)12)10-4-6-19-7-5-10/h1-3,8-10,15H,4-7H2
InChIKeyBOWARUSNPLVLDN-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.02
Rot. Bonds1

About 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole

6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole (PubChem CID 155550907) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
PubChem CID155550907
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCOCC1)n1cncc1-2
InChIInChI=1S/C15H15FN2O/c16-12-3-1-2-11-13-8-17-9-18(13)15(14(11)12)10-4-6-19-7-5-10/h1-3,8-10,15H,4-7H2
InChIKeyBOWARUSNPLVLDN-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole 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 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole (CID 155550907) is 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole is Fc1cccc2c1C(C1CCOCC1)n1cncc1-2.
What is the InChIKey of 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is BOWARUSNPLVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-3-1-2-11-13-8-17-9-18(13)15(14(11)12)10-4-6-19-7-5-10/h1-3,8-10,15H,4-7H2.
What are the key properties of 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole?
6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 258.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 155550907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).