trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol

C16H18N2O — CID 129282405

IUPACtrans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H18N2O/c19-15-8-4-3-7-13(15)16-12-6-2-1-5-11(12)14-9-17-10-18(14)16/h1-2,5-6,9-10,13,15-16,19H,3-4,7-8H2/t13-,15-,16-/m1/s1
InChIKeyGRXLEHXBNCURNH-FVQBIDKESA-N
MW254.33 g/mol
LogP3.00
Rot. Bonds1

About trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol

trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol (PubChem CID 129282405) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
PubChem CID129282405
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nametrans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H18N2O/c19-15-8-4-3-7-13(15)16-12-6-2-1-5-11(12)14-9-17-10-18(14)16/h1-2,5-6,9-10,13,15-16,19H,3-4,7-8H2/t13-,15-,16-/m1/s1
InChIKeyGRXLEHXBNCURNH-FVQBIDKESA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol (CID 129282405) is trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol?
The InChIKey is GRXLEHXBNCURNH-FVQBIDKESA-N. The full InChI is InChI=1S/C16H18N2O/c19-15-8-4-3-7-13(15)16-12-6-2-1-5-11(12)14-9-17-10-18(14)16/h1-2,5-6,9-10,13,15-16,19H,3-4,7-8H2/t13-,15-,16-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol?
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 129282405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).