(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol

C18H20N2O — CID 137412980

IUPAC(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
SMILESO[C@@H]1C2CCC(CC2)C1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C18H20N2O/c21-18-12-7-5-11(6-8-12)16(18)17-14-4-2-1-3-13(14)15-9-19-10-20(15)17/h1-4,9-12,16-18,21H,5-8H2/t11?,12?,16?,17-,18+/m0/s1
InChIKeyAWDBPPVYGGLFDT-GXULQUHUSA-N
MW280.37 g/mol
LogP3.25
Rot. Bonds1

About (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol

(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol (PubChem CID 137412980) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
PubChem CID137412980
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
SMILESO[C@@H]1C2CCC(CC2)C1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C18H20N2O/c21-18-12-7-5-11(6-8-12)16(18)17-14-4-2-1-3-13(14)15-9-19-10-20(15)17/h1-4,9-12,16-18,21H,5-8H2/t11?,12?,16?,17-,18+/m0/s1
InChIKeyAWDBPPVYGGLFDT-GXULQUHUSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol with MolForge

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Related Compounds

trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carbonitrile
CID 137374490
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
(4S,5R)-4-hydroxy-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]azepane-1-sulfonamide
CID 129282470
(4R,5S)-4-hydroxy-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]azepane-1-sulfonamide
CID 129282399
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
(3S,4S)-3-hydroxy-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidine-1-sulfonamide
CID 129282540
(3S,4S)-3-hydroxy-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidine-1-sulfonamide
CID 129282644

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol (CID 137412980) is (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol is O[C@@H]1C2CCC(CC2)C1[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol?
The InChIKey is AWDBPPVYGGLFDT-GXULQUHUSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18-12-7-5-11(6-8-12)16(18)17-14-4-2-1-3-13(14)15-9-19-10-20(15)17/h1-4,9-12,16-18,21H,5-8H2/t11?,12?,16?,17-,18+/m0/s1.
What are the key properties of (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol?
(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 137412980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).