trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol

C16H18N2O — CID 129283103

IUPACtrans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
SMILESCC1(C)C[C@H](O)[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H18N2O/c1-16(2)7-13(19)14(16)15-11-6-4-3-5-10(11)12-8-17-9-18(12)15/h3-6,8-9,13-15,19H,7H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyVSZBMHGSUYNDCJ-SOUVJXGZSA-N
MW254.33 g/mol
LogP2.86
Rot. Bonds1

About trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol

trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol (PubChem CID 129283103) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
PubChem CID129283103
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nametrans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
SMILESCC1(C)C[C@H](O)[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H18N2O/c1-16(2)7-13(19)14(16)15-11-6-4-3-5-10(11)12-8-17-9-18(12)15/h3-6,8-9,13-15,19H,7H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyVSZBMHGSUYNDCJ-SOUVJXGZSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-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
US10233190, Example 1286
CID 66558197
2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 66558199
US10233190, Example 1374
CID 66558377

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol (CID 129283103) is trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol is CC1(C)C[C@H](O)[C@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol?
The InChIKey is VSZBMHGSUYNDCJ-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2)7-13(19)14(16)15-11-6-4-3-5-10(11)12-8-17-9-18(12)15/h3-6,8-9,13-15,19H,7H2,1-2H3/t13-,14-,15+/m0/s1.
What are the key properties of trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol?
trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol is sourced from PubChem (CID 129283103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).