4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol

C18H23FN2O2 — CID 135228564

IUPAC4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
SMILESOC1CCC(C(O)CC2C3=C(C=CC[C@H]3F)c3cncn32)CC1
InChIInChI=1S/C18H23FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-2,9-12,14-15,17,22-23H,3-8H2/t11?,12?,14-,15?,17?/m1/s1
InChIKeyVOMPOSZVGIRXND-LEPHLAJNSA-N
MW318.39 g/mol
LogP2.79
Rot. Bonds3

About 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol

4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol (PubChem CID 135228564) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
PubChem CID135228564
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
SMILESOC1CCC(C(O)CC2C3=C(C=CC[C@H]3F)c3cncn32)CC1
InChIInChI=1S/C18H23FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-2,9-12,14-15,17,22-23H,3-8H2/t11?,12?,14-,15?,17?/m1/s1
InChIKeyVOMPOSZVGIRXND-LEPHLAJNSA-N
XLogP2.79
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol (CID 135228564) is 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol is OC1CCC(C(O)CC2C3=C(C=CC[C@H]3F)c3cncn32)CC1.
What is the InChIKey of 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
The InChIKey is VOMPOSZVGIRXND-LEPHLAJNSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-2,9-12,14-15,17,22-23H,3-8H2/t11?,12?,14-,15?,17?/m1/s1.
What are the key properties of 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol has a molecular weight of 318.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6R)-6-fluoro-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol is sourced from PubChem (CID 135228564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).