(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

C18H27N3O5Si — CID 124735581

IUPAC(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C18H27N3O5Si/c1-17(2,3)27(5,6)26-12-11-20-15(22)18(4,19-16(20)23)13-7-9-14(10-8-13)21(24)25/h7-10H,11-12H2,1-6H3,(H,19,23)/t18-/m0/s1
InChIKeyNSYZEFLNHWBPDZ-SFHVURJKSA-N
MW393.52 g/mol
LogP3.38
Rot. Bonds6

About (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 124735581) has the molecular formula C18H27N3O5Si and a molecular weight of 393.52 g/mol. Its IUPAC name is (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID124735581
Molecular FormulaC18H27N3O5Si
Molecular Weight393.52 g/mol
Exact Mass393.17
IUPAC Name(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C18H27N3O5Si/c1-17(2,3)27(5,6)26-12-11-20-15(22)18(4,19-16(20)23)13-7-9-14(10-8-13)21(24)25/h7-10H,11-12H2,1-6H3,(H,19,23)/t18-/m0/s1
InChIKeyNSYZEFLNHWBPDZ-SFHVURJKSA-N
XLogP3.38
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (CID 124735581) is (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is CC(C)(C)[Si](C)(C)OCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is NSYZEFLNHWBPDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O5Si/c1-17(2,3)27(5,6)26-12-11-20-15(22)18(4,19-16(20)23)13-7-9-14(10-8-13)21(24)25/h7-10H,11-12H2,1-6H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 393.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 124735581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).