2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C12H12N2O — CID 66558199

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOCCC1c2ccccc2-c2cncn21
InChIInChI=1S/C12H12N2O/c15-6-5-11-9-3-1-2-4-10(9)12-7-13-8-14(11)12/h1-4,7-8,11,15H,5-6H2
InChIKeyVQGLVXRSMONFQT-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.84
Rot. Bonds2

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 66558199) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID66558199
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOCCC1c2ccccc2-c2cncn21
InChIInChI=1S/C12H12N2O/c15-6-5-11-9-3-1-2-4-10(9)12-7-13-8-14(11)12/h1-4,7-8,11,15H,5-6H2
InChIKeyVQGLVXRSMONFQT-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CID 70914230
Nlg919
CID 66558287
Acyl piperidine derivative 1
CID 70874141
(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
CID 70874783
1-cyclohexyl-2-(4H-imidazo[1,5-a]indol-4-yl)ethanol
CID 78426054
4-(1,1-Difluoro-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethyl)cyclohexan-1-ol
CID 118917109
1-Cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol
CID 118917121
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
CID 129282689
5H-Imidazo[2,1-a]isoindole, 2-phenyl-
CID 162928
2-Phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 765511
Imidazoleisoindoles derivative 1
CID 122628163
US10233190, Example 1286
CID 66558197

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 66558199) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is OCCC1c2ccccc2-c2cncn21.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is VQGLVXRSMONFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-6-5-11-9-3-1-2-4-10(9)12-7-13-8-14(11)12/h1-4,7-8,11,15H,5-6H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 200.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 66558199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).