(1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

C20H17FN2O2 — CID 134339291

IUPAC(1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESO[C@@H](C[C@H]1c2ccccc2-c2cncn21)c1cc2c(cc1F)OCC2
InChIInChI=1S/C20H17FN2O2/c21-16-8-20-12(5-6-25-20)7-15(16)19(24)9-17-13-3-1-2-4-14(13)18-10-22-11-23(17)18/h1-4,7-8,10-11,17,19,24H,5-6,9H2/t17-,19-/m0/s1
InChIKeyRHFYKEFPCHPTMR-HKUYNNGSSA-N
MW336.37 g/mol
LogP3.65
Rot. Bonds3

About (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

(1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (PubChem CID 134339291) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
PubChem CID134339291
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name(1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESO[C@@H](C[C@H]1c2ccccc2-c2cncn21)c1cc2c(cc1F)OCC2
InChIInChI=1S/C20H17FN2O2/c21-16-8-20-12(5-6-25-20)7-15(16)19(24)9-17-13-3-1-2-4-14(13)18-10-22-11-23(17)18/h1-4,7-8,10-11,17,19,24H,5-6,9H2/t17-,19-/m0/s1
InChIKeyRHFYKEFPCHPTMR-HKUYNNGSSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
The IUPAC name of (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (CID 134339291) is (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
The canonical SMILES for (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is O[C@@H](C[C@H]1c2ccccc2-c2cncn21)c1cc2c(cc1F)OCC2.
What is the InChIKey of (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
The InChIKey is RHFYKEFPCHPTMR-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-16-8-20-12(5-6-25-20)7-15(16)19(24)9-17-13-3-1-2-4-14(13)18-10-22-11-23(17)18/h1-4,7-8,10-11,17,19,24H,5-6,9H2/t17-,19-/m0/s1.
What are the key properties of (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
(1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol has a molecular weight of 336.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is sourced from PubChem (CID 134339291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).