5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole

C17H13FN2 — CID 155562797

IUPAC5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(Cc1ccccc1)n1cncc1-2
InChIInChI=1S/C17H13FN2/c18-14-8-4-7-13-16-10-19-11-20(16)15(17(13)14)9-12-5-2-1-3-6-12/h1-8,10-11,15H,9H2
InChIKeyORJDGABBLTZZGN-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.83
Rot. Bonds2

About 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole

5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole (PubChem CID 155562797) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole
PubChem CID155562797
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(Cc1ccccc1)n1cncc1-2
InChIInChI=1S/C17H13FN2/c18-14-8-4-7-13-16-10-19-11-20(16)15(17(13)14)9-12-5-2-1-3-6-12/h1-8,10-11,15H,9H2
InChIKeyORJDGABBLTZZGN-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole (CID 155562797) is 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole is Fc1cccc2c1C(Cc1ccccc1)n1cncc1-2.
What is the InChIKey of 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
The InChIKey is ORJDGABBLTZZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2/c18-14-8-4-7-13-16-10-19-11-20(16)15(17(13)14)9-12-5-2-1-3-6-12/h1-8,10-11,15H,9H2.
What are the key properties of 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole has a molecular weight of 264.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-fluoro-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 155562797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).