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

C112H126N14O14 — CID 159121374

IUPAC(3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol
SMILESO[C@@H]1CCCOC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@@H]1[C@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/7C16H18N2O2/c7*19-15-6-3-7-20-9-13(15)16-12-5-2-1-4-11(12)14-8-17-10-18(14)16/h7*1-2,4-5,8,10,13,15-16,19H,3,6-7,9H2/t13-,15+,16+;2*13-,15+,16-;2*13-,15-,16+;2*13-,15-,16-/m0101010/s1
InChIKeyKFSRTVMCQQWAQW-JDYQZHKSSA-N
MW1892.32 g/mol
LogP15.68
Rot. Bonds7

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

(3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol (PubChem CID 159121374) has the molecular formula C112H126N14O14 and a molecular weight of 1892.32 g/mol. Its IUPAC name is (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol
PubChem CID159121374
Molecular FormulaC112H126N14O14
Molecular Weight1892.32 g/mol
Exact Mass1890.96
IUPAC Name(3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol
SMILESO[C@@H]1CCCOC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@@H]1[C@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/7C16H18N2O2/c7*19-15-6-3-7-20-9-13(15)16-12-5-2-1-4-11(12)14-8-17-10-18(14)16/h7*1-2,4-5,8,10,13,15-16,19H,3,6-7,9H2/t13-,15+,16+;2*13-,15+,16-;2*13-,15-,16+;2*13-,15-,16-/m0101010/s1
InChIKeyKFSRTVMCQQWAQW-JDYQZHKSSA-N
XLogP15.68
TPSA330.96 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.32
LogP ≤ 515.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol?
The IUPAC name of (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol (CID 159121374) is (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol.
What is the SMILES notation for (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol?
The canonical SMILES for (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol is O[C@@H]1CCCOC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@@H]1[C@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1CCCOC[C@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1CCCOC[C@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol?
The InChIKey is KFSRTVMCQQWAQW-JDYQZHKSSA-N. The full InChI is InChI=1S/7C16H18N2O2/c7*19-15-6-3-7-20-9-13(15)16-12-5-2-1-4-11(12)14-8-17-10-18(14)16/h7*1-2,4-5,8,10,13,15-16,19H,3,6-7,9H2/t13-,15+,16+;2*13-,15+,16-;2*13-,15-,16+;2*13-,15-,16-/m0101010/s1.
What are the key properties of (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol?
(3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol has a molecular weight of 1892.32 g/mol, XLogP of 15.68, 7 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3S,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol;(3R,4R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxepan-4-ol is sourced from PubChem (CID 159121374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).