8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one

C18H18N2O3S — CID 23178389

IUPAC8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESCc1ccc2c(c1)C1(c3cccc(S(C)(=O)=O)c3)NCCN1C2=O
InChIInChI=1S/C18H18N2O3S/c1-12-6-7-15-16(10-12)18(19-8-9-20(18)17(15)21)13-4-3-5-14(11-13)24(2,22)23/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyJYHHJDOOIOFLKV-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.66
Rot. Bonds2

About 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one

8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (PubChem CID 23178389) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
PubChem CID23178389
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESCc1ccc2c(c1)C1(c3cccc(S(C)(=O)=O)c3)NCCN1C2=O
InChIInChI=1S/C18H18N2O3S/c1-12-6-7-15-16(10-12)18(19-8-9-20(18)17(15)21)13-4-3-5-14(11-13)24(2,22)23/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyJYHHJDOOIOFLKV-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The IUPAC name of 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (CID 23178389) is 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is Cc1ccc2c(c1)C1(c3cccc(S(C)(=O)=O)c3)NCCN1C2=O.
What is the InChIKey of 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The InChIKey is JYHHJDOOIOFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-6-7-15-16(10-12)18(19-8-9-20(18)17(15)21)13-4-3-5-14(11-13)24(2,22)23/h3-7,10-11,19H,8-9H2,1-2H3.
What are the key properties of 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one has a molecular weight of 342.42 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9b-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 23178389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).