1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one

C19H21N3O3S — CID 3948423

IUPAC1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one
SMILESCS(=O)(=O)N1Cc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2C1
InChIInChI=1S/C19H21N3O3S/c1-26(24,25)21-13-16-7-8-18(11-17(16)14-21)22-10-9-20(19(22)23)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3
InChIKeyURSRGUBRFCVOLG-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.40
Rot. Bonds4

About 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one

1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one (PubChem CID 3948423) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one
PubChem CID3948423
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one
SMILESCS(=O)(=O)N1Cc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2C1
InChIInChI=1S/C19H21N3O3S/c1-26(24,25)21-13-16-7-8-18(11-17(16)14-21)22-10-9-20(19(22)23)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3
InChIKeyURSRGUBRFCVOLG-UHFFFAOYSA-N
XLogP2.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)-3-[(2,3,4,5,6-pentafluorophenyl)methyl]imidazolidin-2-one
CID 3389359
1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one
CID 3595055
1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
CID 118239025
1-(2,3-dihydro-1H-inden-5-yl)-3-(pyridin-3-ylmethyl)imidazolidin-2-one
CID 4654076
1-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylphenyl)methyl]imidazolidin-2-one
CID 4310343
(E)-3-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 71811463
2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-5-(3-benzyl-2-oxoimidazolidin-1-yl)-N-tert-butylbenzenesulfonamide
CID 137408606
1-[4-(2-benzylsulfonyl-1,3-dihydroisoindol-5-yl)piperazin-1-yl]ethanone
CID 162676853
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 42869133
1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 3929920
1-benzyl-3-(methylamino)imidazolidin-2-one
CID 58645320
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one (CID 3948423) is 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one is CS(=O)(=O)N1Cc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2C1.
What is the InChIKey of 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
The InChIKey is URSRGUBRFCVOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-26(24,25)21-13-16-7-8-18(11-17(16)14-21)22-10-9-20(19(22)23)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3.
What are the key properties of 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one has a molecular weight of 371.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 3948423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).