(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

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

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Related Compounds

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CID 70914230
Nlg919
CID 66558287
Acyl piperidine derivative 1
CID 70874141
(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
CID 70874783
1-cyclohexyl-2-(4H-imidazo[1,5-a]indol-4-yl)ethanol
CID 78426054
4-(1,1-Difluoro-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethyl)cyclohexan-1-ol
CID 118917109
1-Cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol
CID 118917121
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
CID 129282689
Imidazoleisoindoles derivative 1
CID 122628163
5-(p-Hydroxymethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 13688218
(4-fluorophenyl)-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)methanol
CID 45486436
US10233190, Example 1286
CID 66558197

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).