(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione

C21H22N2O2S — CID 7988392

IUPAC(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1
InChIInChI=1S/C21H22N2O2S/c1-21(17-9-8-15-4-3-5-16(15)12-17)19(24)23(20(25)22-21)13-14-6-10-18(26-2)11-7-14/h6-12H,3-5,13H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyGQEBIAUPGCPVOP-NRFANRHFSA-N
MW366.49 g/mol
LogP3.86
Rot. Bonds4

About (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 7988392) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID7988392
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1
InChIInChI=1S/C21H22N2O2S/c1-21(17-9-8-15-4-3-5-16(15)12-17)19(24)23(20(25)22-21)13-14-6-10-18(26-2)11-7-14/h6-12H,3-5,13H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyGQEBIAUPGCPVOP-NRFANRHFSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione (CID 7988392) is (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione is CSc1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1.
What is the InChIKey of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is GQEBIAUPGCPVOP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-21(17-9-8-15-4-3-5-16(15)12-17)19(24)23(20(25)22-21)13-14-6-10-18(26-2)11-7-14/h6-12H,3-5,13H2,1-2H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 366.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7988392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).