(4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol

C15H15ClN2O2 — CID 129296684

IUPAC(4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
SMILESO[C@@H]1CCOCC1[C@H]1c2c(Cl)cccc2-c2cncn21
InChIInChI=1S/C15H15ClN2O2/c16-11-3-1-2-9-12-6-17-8-18(12)15(14(9)11)10-7-20-5-4-13(10)19/h1-3,6,8,10,13,15,19H,4-5,7H2/t10?,13-,15+/m1/s1
InChIKeyMHLPAMGBUXJKJK-AFGDWVFNSA-N
MW290.75 g/mol
LogP2.50
Rot. Bonds1

About (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol

(4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol (PubChem CID 129296684) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name(4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
PubChem CID129296684
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
SMILESO[C@@H]1CCOCC1[C@H]1c2c(Cl)cccc2-c2cncn21
InChIInChI=1S/C15H15ClN2O2/c16-11-3-1-2-9-12-6-17-8-18(12)15(14(9)11)10-7-20-5-4-13(10)19/h1-3,6,8,10,13,15,19H,4-5,7H2/t10?,13-,15+/m1/s1
InChIKeyMHLPAMGBUXJKJK-AFGDWVFNSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol with MolForge

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Related Compounds

(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol
CID 137405934
3-(5H-imidazo[5,1-a]isoindol-5-yl)oxepan-4-ol
CID 129282438
(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
CID 137405834
(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282697
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282768
(3S,4R)-4-[(5R)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282480
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
CID 129282635
2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
CID 145029711
(2R,3R)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-oxaspiro[3.5]nonan-3-ol
CID 137405685
2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
CID 129282641

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
The IUPAC name of (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol (CID 129296684) is (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol.
What is the SMILES notation for (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
The canonical SMILES for (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol is O[C@@H]1CCOCC1[C@H]1c2c(Cl)cccc2-c2cncn21.
What is the InChIKey of (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
The InChIKey is MHLPAMGBUXJKJK-AFGDWVFNSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-11-3-1-2-9-12-6-17-8-18(12)15(14(9)11)10-7-20-5-4-13(10)19/h1-3,6,8,10,13,15,19H,4-5,7H2/t10?,13-,15+/m1/s1.
What are the key properties of (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol?
(4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol has a molecular weight of 290.75 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol is sourced from PubChem (CID 129296684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).