(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol

C108H132N12O12 — CID 160814841

IUPAC(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)[C@@H](O)[C@@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@@H](O)[C@H]1[C@@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@@H](O)[C@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@@H]1[C@@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/6C18H22N2O2/c6*1-17(2)14(16(21)18(3,4)22-17)15-12-8-6-5-7-11(12)13-9-19-10-20(13)15/h6*5-10,14-16,21H,1-4H3/t2*14-,15+,16+;2*14-,15+,16-;2*14-,15-,16+/m101010/s1
InChIKeySETOIYKPRBHDHP-QNEHNTOZSA-N
MW1790.32 g/mol
LogP18.10
Rot. Bonds6

About (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol

(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 160814841) has the molecular formula C108H132N12O12 and a molecular weight of 1790.32 g/mol. Its IUPAC name is (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID160814841
Molecular FormulaC108H132N12O12
Molecular Weight1790.32 g/mol
Exact Mass1789.01
IUPAC Name(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)[C@@H](O)[C@@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@@H](O)[C@H]1[C@@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@@H](O)[C@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@@H]1[C@@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/6C18H22N2O2/c6*1-17(2)14(16(21)18(3,4)22-17)15-12-8-6-5-7-11(12)13-9-19-10-20(13)15/h6*5-10,14-16,21H,1-4H3/t2*14-,15+,16+;2*14-,15+,16-;2*14-,15-,16+/m101010/s1
InChIKeySETOIYKPRBHDHP-QNEHNTOZSA-N
XLogP18.10
TPSA283.68 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001790.32
LogP ≤ 518.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol (CID 160814841) is (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)OC(C)(C)[C@@H](O)[C@@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@@H](O)[C@H]1[C@@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@@H](O)[C@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@@H]1[C@@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@@H]1[C@H]1c2ccccc2-c2cncn21.CC1(C)OC(C)(C)[C@H](O)[C@H]1[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is SETOIYKPRBHDHP-QNEHNTOZSA-N. The full InChI is InChI=1S/6C18H22N2O2/c6*1-17(2)14(16(21)18(3,4)22-17)15-12-8-6-5-7-11(12)13-9-19-10-20(13)15/h6*5-10,14-16,21H,1-4H3/t2*14-,15+,16+;2*14-,15+,16-;2*14-,15-,16+/m101010/s1.
What are the key properties of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol?
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 1790.32 g/mol, XLogP of 18.10, 6 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 160814841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).