(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol

C19H18N2O — CID 155517551

IUPAC(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C19H18N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h2-13,18-19,22H,1H3/t13-,18-,19-/m0/s1
InChIKeyBVKRYNQGMDTGRG-AGRHKRQWSA-N
MW290.37 g/mol
LogP3.82
Rot. Bonds3

About (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol

(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol (PubChem CID 155517551) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol
PubChem CID155517551
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C19H18N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h2-13,18-19,22H,1H3/t13-,18-,19-/m0/s1
InChIKeyBVKRYNQGMDTGRG-AGRHKRQWSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol (CID 155517551) is (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol is C[C@H]([C@H](O)c1ccccc1)[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol?
The InChIKey is BVKRYNQGMDTGRG-AGRHKRQWSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h2-13,18-19,22H,1H3/t13-,18-,19-/m0/s1.
What are the key properties of (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol?
(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 155517551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).