(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol

C14H15FN2O — CID 129282693

IUPAC(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C14H15FN2O/c1-8(2)14(18)13-10-4-3-9(15)5-11(10)12-6-16-7-17(12)13/h3-8,13-14,18H,1-2H3/t13-,14-/m1/s1
InChIKeyMYGSWLYTIYRXPI-ZIAGYGMSSA-N
MW246.28 g/mol
LogP2.61
Rot. Bonds2

About (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol

(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol (PubChem CID 129282693) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol
PubChem CID129282693
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[C@H]1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C14H15FN2O/c1-8(2)14(18)13-10-4-3-9(15)5-11(10)12-6-16-7-17(12)13/h3-8,13-14,18H,1-2H3/t13-,14-/m1/s1
InChIKeyMYGSWLYTIYRXPI-ZIAGYGMSSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol (CID 129282693) is (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol is CC(C)[C@@H](O)[C@H]1c2ccc(F)cc2-c2cncn21.
What is the InChIKey of (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol?
The InChIKey is MYGSWLYTIYRXPI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8(2)14(18)13-10-4-3-9(15)5-11(10)12-6-16-7-17(12)13/h3-8,13-14,18H,1-2H3/t13-,14-/m1/s1.
What are the key properties of (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol?
(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol has a molecular weight of 246.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 129282693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).