(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol

C12H12N2O2 — CID 129283133

IUPAC(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C12H12N2O2/c15-6-11(16)12-9-4-2-1-3-8(9)10-5-13-7-14(10)12/h1-5,7,11-12,15-16H,6H2/t11-,12-/m1/s1
InChIKeyIMCUGBPNZOTWMM-VXGBXAGGSA-N
MW216.24 g/mol
LogP0.81
Rot. Bonds2

About (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol

(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol (PubChem CID 129283133) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
PubChem CID129283133
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C12H12N2O2/c15-6-11(16)12-9-4-2-1-3-8(9)10-5-13-7-14(10)12/h1-5,7,11-12,15-16H,6H2/t11-,12-/m1/s1
InChIKeyIMCUGBPNZOTWMM-VXGBXAGGSA-N
XLogP0.81
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol (CID 129283133) is (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol is OC[C@@H](O)[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol?
The InChIKey is IMCUGBPNZOTWMM-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-6-11(16)12-9-4-2-1-3-8(9)10-5-13-7-14(10)12/h1-5,7,11-12,15-16H,6H2/t11-,12-/m1/s1.
What are the key properties of (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol?
(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol has a molecular weight of 216.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 129283133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).