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

C14H14N2O — CID 137405919

IUPACtrans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1C1c2ccccc2-c2cncn21
InChIInChI=1S/C14H14N2O/c17-13-6-5-11(13)14-10-4-2-1-3-9(10)12-7-15-8-16(12)14/h1-4,7-8,11,13-14,17H,5-6H2/t11-,13-,14?/m1/s1
InChIKeyDDMGFAANFODMEJ-AYBZEELNSA-N
MW226.28 g/mol
LogP2.22
Rot. Bonds1

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

trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol (PubChem CID 137405919) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
PubChem CID137405919
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Nametrans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1C1c2ccccc2-c2cncn21
InChIInChI=1S/C14H14N2O/c17-13-6-5-11(13)14-10-4-2-1-3-9(10)12-7-15-8-16(12)14/h1-4,7-8,11,13-14,17H,5-6H2/t11-,13-,14?/m1/s1
InChIKeyDDMGFAANFODMEJ-AYBZEELNSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
CID 137405834
(3S,4S)-4-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methylpiperidin-3-ol
CID 137405937
(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
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
3-(5H-imidazo[5,1-a]isoindol-5-yl)oxepan-4-ol
CID 129282438
(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282697
(4R,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylazepan-4-ol
CID 129283212
2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol;4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidin-3-ol
CID 158929484
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol (CID 137405919) is trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol is O[C@@H]1CC[C@H]1C1c2ccccc2-c2cncn21.
What is the InChIKey of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol?
The InChIKey is DDMGFAANFODMEJ-AYBZEELNSA-N. The full InChI is InChI=1S/C14H14N2O/c17-13-6-5-11(13)14-10-4-2-1-3-9(10)12-7-15-8-16(12)14/h1-4,7-8,11,13-14,17H,5-6H2/t11-,13-,14?/m1/s1.
What are the key properties of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol?
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol is sourced from PubChem (CID 137405919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).