4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one

C16H16N2O2 — CID 129282950

IUPAC4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(C2c3ccccc3-c3cncn32)C1=O
InChIInChI=1S/C16H16N2O2/c1-16(2)15(19)12(8-20-16)14-11-6-4-3-5-10(11)13-7-17-9-18(13)14/h3-7,9,12,14H,8H2,1-2H3
InChIKeyLFFKLCHCJWXFDZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.45
Rot. Bonds1

About 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one

4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one (PubChem CID 129282950) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one
PubChem CID129282950
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(C2c3ccccc3-c3cncn32)C1=O
InChIInChI=1S/C16H16N2O2/c1-16(2)15(19)12(8-20-16)14-11-6-4-3-5-10(11)13-7-17-9-18(13)14/h3-7,9,12,14H,8H2,1-2H3
InChIKeyLFFKLCHCJWXFDZ-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118
trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
CID 129283103
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
CID 160814841
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
CID 129282723
1-[2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 137387565
(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2-methyl-6,7-dihydro-5H-indazol-4-one
CID 163439646
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
CID 175796682
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol
CID 129296590
(6S,7R)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2-oxaspiro[3.3]heptan-6-ol
CID 129296562
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide
CID 137374428

Frequently Asked Questions

What is the IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one?
The IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one (CID 129282950) is 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one.
What is the SMILES notation for 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one?
The canonical SMILES for 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one is CC1(C)OCC(C2c3ccccc3-c3cncn32)C1=O.
What is the InChIKey of 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one?
The InChIKey is LFFKLCHCJWXFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2)15(19)12(8-20-16)14-11-6-4-3-5-10(11)13-7-17-9-18(13)14/h3-7,9,12,14H,8H2,1-2H3.
What are the key properties of 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one?
4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 129282950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).