(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol

C17H20N2O — CID 129282494

IUPAC(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
SMILESO[C@H](C1CCCCC1)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H20N2O/c20-17(12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)15-10-18-11-19(15)16/h4-5,8-12,16-17,20H,1-3,6-7H2/t16-,17-/m1/s1
InChIKeyPTJIYOVLLWVTRC-IAGOWNOFSA-N
MW268.36 g/mol
LogP3.39
Rot. Bonds2

About (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol

(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol (PubChem CID 129282494) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
PubChem CID129282494
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
SMILESO[C@H](C1CCCCC1)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H20N2O/c20-17(12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)15-10-18-11-19(15)16/h4-5,8-12,16-17,20H,1-3,6-7H2/t16-,17-/m1/s1
InChIKeyPTJIYOVLLWVTRC-IAGOWNOFSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The IUPAC name of (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol (CID 129282494) is (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol.
What is the SMILES notation for (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The canonical SMILES for (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol is O[C@H](C1CCCCC1)[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The InChIKey is PTJIYOVLLWVTRC-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(12-6-2-1-3-7-12)16-14-9-5-4-8-13(14)15-10-18-11-19(15)16/h4-5,8-12,16-17,20H,1-3,6-7H2/t16-,17-/m1/s1.
What are the key properties of (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol is sourced from PubChem (CID 129282494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).