1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

C18H20N2O — CID 70914178

IUPAC1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16H,1-3,6-7,10H2
InChIKeyHSQQWDUUFGXQKN-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.99
Rot. Bonds3

About 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone (PubChem CID 70914178) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
PubChem CID70914178
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16H,1-3,6-7,10H2
InChIKeyHSQQWDUUFGXQKN-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
5H-Imidazo[2,1-a]isoindole, 2-phenyl-
CID 162928
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine
CID 66558294
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone
CID 66558380
(1S)-1-cyclohexyl-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 66558554
US10233190, Example 1406
CID 70874317
1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874391
1-cyclohexyl-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874453
US10233190, Example 1407
CID 70874544

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone (CID 70914178) is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone is O=C(CC1c2ccccc2-c2cncn21)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The InChIKey is HSQQWDUUFGXQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16H,1-3,6-7,10H2.
What are the key properties of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone is sourced from PubChem (CID 70914178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).