1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C22H25FN2O — CID 122499153

IUPAC1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2cc(F)ccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25FN2O/c23-16-1-2-17-18(6-16)19(25-12-24-11-20(17)25)7-21(26)22-8-13-3-14(9-22)5-15(4-13)10-22/h1-2,6,11-15,19,21,26H,3-5,7-10H2
InChIKeyTVYSAKSWTQIQBL-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.56
Rot. Bonds3

About 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 122499153) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID122499153
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2cc(F)ccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25FN2O/c23-16-1-2-17-18(6-16)19(25-12-24-11-20(17)25)7-21(26)22-8-13-3-14(9-22)5-15(4-13)10-22/h1-2,6,11-15,19,21,26H,3-5,7-10H2
InChIKeyTVYSAKSWTQIQBL-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol 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
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
US10233190, Example 1385
CID 66558379

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 122499153) is 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is OC(CC1c2cc(F)ccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is TVYSAKSWTQIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-16-1-2-17-18(6-16)19(25-12-24-11-20(17)25)7-21(26)22-8-13-3-14(9-22)5-15(4-13)10-22/h1-2,6,11-15,19,21,26H,3-5,7-10H2.
What are the key properties of 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 352.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 122499153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).