(5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole

C26H19FN2O — CID 142300341

IUPAC(5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cc2oc(-c3ccccc3)cc2cc1CC[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C26H19FN2O/c27-22-14-26-19(13-25(30-26)17-6-2-1-3-7-17)12-18(22)10-11-23-20-8-4-5-9-21(20)24-15-28-16-29(23)24/h1-9,12-16,23H,10-11H2/t23-/m0/s1
InChIKeyKOLDNAXGCZUWJB-QHCPKHFHSA-N
MW394.45 g/mol
LogP6.64
Rot. Bonds4

About (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole

(5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole (PubChem CID 142300341) has the molecular formula C26H19FN2O and a molecular weight of 394.45 g/mol. Its IUPAC name is (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name(5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole
PubChem CID142300341
Molecular FormulaC26H19FN2O
Molecular Weight394.45 g/mol
Exact Mass394.15
IUPAC Name(5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cc2oc(-c3ccccc3)cc2cc1CC[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C26H19FN2O/c27-22-14-26-19(13-25(30-26)17-6-2-1-3-7-17)12-18(22)10-11-23-20-8-4-5-9-21(20)24-15-28-16-29(23)24/h1-9,12-16,23H,10-11H2/t23-/m0/s1
InChIKeyKOLDNAXGCZUWJB-QHCPKHFHSA-N
XLogP6.64
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole with MolForge

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Related Compounds

6-[2-[[5-Methyl-2-(2-methyl-1-benzofuran-5-yl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 121269556
(1S)-1-(6-fluoro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 134339356
[1-(3-Methyl-3H-imidazol-4-ylmethyl)-4-naphthalen-1-yl-1H-pyrrol-3-yl]-(4-phenoxy-phenyl)-methanone
CID 10390566
(1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890769
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72204128
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
1-(4-Fluorophenyl)-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone bromide
CID 71726550
1-Benzyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-1-ium bromide
CID 71726678
1-Butyl-3-[dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium iodide
CID 72203769
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-phenylethanone bromide
CID 72203954
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72203962

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole (CID 142300341) is (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole is Fc1cc2oc(-c3ccccc3)cc2cc1CC[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is KOLDNAXGCZUWJB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H19FN2O/c27-22-14-26-19(13-25(30-26)17-6-2-1-3-7-17)12-18(22)10-11-23-20-8-4-5-9-21(20)24-15-28-16-29(23)24/h1-9,12-16,23H,10-11H2/t23-/m0/s1.
What are the key properties of (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
(5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 394.45 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(6-fluoro-2-phenyl-1-benzofuran-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 142300341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).