(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol

C16H16N2O — CID 129296590

IUPAC(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol
SMILESO[C@H]1CC2(CC2)[C@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H16N2O/c19-13-7-16(5-6-16)14(13)15-11-4-2-1-3-10(11)12-8-17-9-18(12)15/h1-4,8-9,13-15,19H,5-7H2/t13-,14+,15-/m0/s1
InChIKeyPWKCXRHZZHXKSV-ZNMIVQPWSA-N
MW252.32 g/mol
LogP2.61
Rot. Bonds1

About (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol

(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol (PubChem CID 129296590) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol.

Molecular Properties

Compound Name(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol
PubChem CID129296590
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol
SMILESO[C@H]1CC2(CC2)[C@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H16N2O/c19-13-7-16(5-6-16)14(13)15-11-4-2-1-3-10(11)12-8-17-9-18(12)15/h1-4,8-9,13-15,19H,5-7H2/t13-,14+,15-/m0/s1
InChIKeyPWKCXRHZZHXKSV-ZNMIVQPWSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol with MolForge

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Related Compounds

(6S,7R)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2-oxaspiro[3.3]heptan-6-ol
CID 129296562
trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
CID 129283103
(2R,3R)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-oxaspiro[3.5]nonan-3-ol
CID 137405685
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
CID 160814841
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
CID 129282723
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
(2S,3R)-3-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 137406140
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
CID 175796682
trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol
CID 137405870

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol?
The IUPAC name of (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol (CID 129296590) is (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol.
What is the SMILES notation for (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol?
The canonical SMILES for (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol is O[C@H]1CC2(CC2)[C@H]1[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol?
The InChIKey is PWKCXRHZZHXKSV-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H16N2O/c19-13-7-16(5-6-16)14(13)15-11-4-2-1-3-10(11)12-8-17-9-18(12)15/h1-4,8-9,13-15,19H,5-7H2/t13-,14+,15-/m0/s1.
What are the key properties of (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol?
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol has a molecular weight of 252.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol is sourced from PubChem (CID 129296590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).