2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol

C18H21ClN2O — CID 66558377

IUPAC2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol
SMILESOC(CC1c2ccc(Cl)cc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H21ClN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2
InChIKeyQGHQVXDKDPJMIN-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.44
Rot. Bonds3

About 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol

2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol (PubChem CID 66558377) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol.

Molecular Properties

Compound Name2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol
PubChem CID66558377
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol
SMILESOC(CC1c2ccc(Cl)cc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H21ClN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2
InChIKeyQGHQVXDKDPJMIN-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nlg919
CID 66558287
trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CID 70914230
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 1385
CID 66558379
(1S)-1-cyclohexyl-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 66558554

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol?
The IUPAC name of 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol (CID 66558377) is 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol.
What is the SMILES notation for 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol?
The canonical SMILES for 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol is OC(CC1c2ccc(Cl)cc2-c2cncn21)C1CCCCC1.
What is the InChIKey of 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol?
The InChIKey is QGHQVXDKDPJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2.
What are the key properties of 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol?
2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol has a molecular weight of 316.83 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1-cyclohexylethanol is sourced from PubChem (CID 66558377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).