1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

C26H17FN2O2 — CID 154006073

IUPAC1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1cc2cc(-c3ccccc3)oc2cc1F
InChIInChI=1S/C26H17FN2O2/c27-21-12-26-17(11-25(31-26)16-6-2-1-3-7-16)10-20(21)24(30)13-22-18-8-4-5-9-19(18)23-14-28-15-29(22)23/h1-12,14-15,22H,13H2
InChIKeyMNGNQUGPRQRVNB-UHFFFAOYSA-N
MW408.43 g/mol
LogP6.28
Rot. Bonds4

About 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone (PubChem CID 154006073) has the molecular formula C26H17FN2O2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
PubChem CID154006073
Molecular FormulaC26H17FN2O2
Molecular Weight408.43 g/mol
Exact Mass408.13
IUPAC Name1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1cc2cc(-c3ccccc3)oc2cc1F
InChIInChI=1S/C26H17FN2O2/c27-21-12-26-17(11-25(31-26)16-6-2-1-3-7-16)10-20(21)24(30)13-22-18-8-4-5-9-19(18)23-14-28-15-29(22)23/h1-12,14-15,22H,13H2
InChIKeyMNGNQUGPRQRVNB-UHFFFAOYSA-N
XLogP6.28
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The IUPAC name of 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone (CID 154006073) is 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone is O=C(CC1c2ccccc2-c2cncn21)c1cc2cc(-c3ccccc3)oc2cc1F.
What is the InChIKey of 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The InChIKey is MNGNQUGPRQRVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2O2/c27-21-12-26-17(11-25(31-26)16-6-2-1-3-7-16)10-20(21)24(30)13-22-18-8-4-5-9-19(18)23-14-28-15-29(22)23/h1-12,14-15,22H,13H2.
What are the key properties of 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone has a molecular weight of 408.43 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone is sourced from PubChem (CID 154006073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).