(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C12H12N2O — CID 137405860

IUPAC(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESC[C@H](O)C1c2ccccc2-c2cncn21
InChIInChI=1S/C12H12N2O/c1-8(15)12-10-5-3-2-4-9(10)11-6-13-7-14(11)12/h2-8,12,15H,1H3/t8-,12?/m0/s1
InChIKeyUDZRVINHNLAGCI-KBPLZSHQSA-N
MW200.24 g/mol
LogP1.83
Rot. Bonds1

About (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 137405860) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID137405860
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESC[C@H](O)C1c2ccccc2-c2cncn21
InChIInChI=1S/C12H12N2O/c1-8(15)12-10-5-3-2-4-9(10)11-6-13-7-14(11)12/h2-8,12,15H,1H3/t8-,12?/m0/s1
InChIKeyUDZRVINHNLAGCI-KBPLZSHQSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700
(1R)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1R)-1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1S)-1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol
CID 157478620
(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
CID 129283133
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
CID 70874781
(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,6-dimethylheptan-3-ol
CID 153484861
(3R,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,6-dimethylheptan-3-ol
CID 153484841
(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
CID 129282494
3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylpropanenitrile
CID 129283016
(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 137413027
(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol
CID 129282693
(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
CID 137390311
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 137405860) is (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is C[C@H](O)C1c2ccccc2-c2cncn21.
What is the InChIKey of (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is UDZRVINHNLAGCI-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(15)12-10-5-3-2-4-9(10)11-6-13-7-14(11)12/h2-8,12,15H,1H3/t8-,12?/m0/s1.
What are the key properties of (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 200.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 137405860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).