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

C22H24N2O — CID 138962007

IUPAC1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
SMILESO=C(C[C@@H]1c2ccccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2/t14?,15?,16?,19-,22?/m1/s1
InChIKeyCEFJGTUTXUUDGD-FRXJQHJJSA-N
MW332.45 g/mol
LogP4.63
Rot. Bonds3

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

1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone (PubChem CID 138962007) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
PubChem CID138962007
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
SMILESO=C(C[C@@H]1c2ccccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2/t14?,15?,16?,19-,22?/m1/s1
InChIKeyCEFJGTUTXUUDGD-FRXJQHJJSA-N
XLogP4.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402347
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-methylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402398
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402295
N-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-bicyclo[2.2.2]octanyl]-2-phenylacetamide
CID 145402278
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 145402479
1-cyclopropyl-3-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-bicyclo[2.2.2]octanyl]urea
CID 163682818
N-[(4-fluorophenyl)methyl]-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402270
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide
CID 145402176
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone
CID 169436950
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
CID 122628175
(1S)-1-(2-adamantyl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 122499160
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone
CID 154006094

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone?
The IUPAC name of 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone (CID 138962007) is 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone is O=C(C[C@@H]1c2ccccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone?
The InChIKey is CEFJGTUTXUUDGD-FRXJQHJJSA-N. The full InChI is InChI=1S/C22H24N2O/c25-21(22-9-14-5-15(10-22)7-16(6-14)11-22)8-19-17-3-1-2-4-18(17)20-12-23-13-24(19)20/h1-4,12-16,19H,5-11H2/t14?,15?,16?,19-,22?/m1/s1.
What are the key properties of 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone?
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone has a molecular weight of 332.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone is sourced from PubChem (CID 138962007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).