9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one

C19H20N2O — CID 59025762

IUPAC9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESCC(C)c1ccc(C23NCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)14-7-9-15(10-8-14)19-17-6-4-3-5-16(17)18(22)21(19)12-11-20-19/h3-10,13,20H,11-12H2,1-2H3
InChIKeyYLUSYNIYBBBDMF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.07
Rot. Bonds2

About 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one

9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (PubChem CID 59025762) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
PubChem CID59025762
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESCC(C)c1ccc(C23NCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)14-7-9-15(10-8-14)19-17-6-4-3-5-16(17)18(22)21(19)12-11-20-19/h3-10,13,20H,11-12H2,1-2H3
InChIKeyYLUSYNIYBBBDMF-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (CID 59025762) is 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is CC(C)c1ccc(C23NCCN2C(=O)c2ccccc23)cc1.
What is the InChIKey of 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The InChIKey is YLUSYNIYBBBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13(2)14-7-9-15(10-8-14)19-17-6-4-3-5-16(17)18(22)21(19)12-11-20-19/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one has a molecular weight of 292.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-propan-2-ylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).