(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

C52H56N8O4 — CID 157478620

IUPAC(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
SMILESCC[C@@H](O)[C@@H]1c2ccccc2-c2cncn21.CC[C@@H](O)[C@H]1c2ccccc2-c2cncn21.CC[C@H](O)[C@@H]1c2ccccc2-c2cncn21.CC[C@H](O)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/4C13H14N2O/c4*1-2-12(16)13-10-6-4-3-5-9(10)11-7-14-8-15(11)13/h4*3-8,12-13,16H,2H2,1H3/t2*12-,13+;2*12-,13-/m1010/s1
InChIKeyBVWWDWZVLOOVTQ-FSCVMSEGSA-N
MW857.07 g/mol
LogP8.90
Rot. Bonds8

About (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

(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 (PubChem CID 157478620) has the molecular formula C52H56N8O4 and a molecular weight of 857.07 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157478620
Molecular FormulaC52H56N8O4
Molecular Weight857.07 g/mol
Exact Mass856.44
IUPAC Name(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
SMILESCC[C@@H](O)[C@@H]1c2ccccc2-c2cncn21.CC[C@@H](O)[C@H]1c2ccccc2-c2cncn21.CC[C@H](O)[C@@H]1c2ccccc2-c2cncn21.CC[C@H](O)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/4C13H14N2O/c4*1-2-12(16)13-10-6-4-3-5-9(10)11-7-14-8-15(11)13/h4*3-8,12-13,16H,2H2,1H3/t2*12-,13+;2*12-,13-/m1010/s1
InChIKeyBVWWDWZVLOOVTQ-FSCVMSEGSA-N
XLogP8.90
TPSA152.20 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 58.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (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 with MolForge

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Related Compounds

(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
CID 129283133
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700
(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405860
(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
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
CID 70874781
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
(1S)-1-(2-adamantyl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 122499160
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
(3R,4R)-1-ethylsulfonyl-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol
CID 129282505

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H](O)[C@@H]1c2ccccc2-c2cncn21.CC[C@@H](O)[C@H]1c2ccccc2-c2cncn21.CC[C@H](O)[C@@H]1c2ccccc2-c2cncn21.CC[C@H](O)[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (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?
The InChIKey is BVWWDWZVLOOVTQ-FSCVMSEGSA-N. The full InChI is InChI=1S/4C13H14N2O/c4*1-2-12(16)13-10-6-4-3-5-9(10)11-7-14-8-15(11)13/h4*3-8,12-13,16H,2H2,1H3/t2*12-,13+;2*12-,13-/m1010/s1.
What are the key properties of (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?
(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 has a molecular weight of 857.07 g/mol, XLogP of 8.90, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157478620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).