1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one

C29H34N2OSi — CID 10389271

IUPAC1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one
SMILESC[Si](C)(C)C1/C(=N/Cc2ccccc2)C(=O)N(Cc2ccccc2)C1CCc1ccccc1
InChIInChI=1S/C29H34N2OSi/c1-33(2,3)28-26(20-19-23-13-7-4-8-14-23)31(22-25-17-11-6-12-18-25)29(32)27(28)30-21-24-15-9-5-10-16-24/h4-18,26,28H,19-22H2,1-3H3/b30-27-
InChIKeyKLQIARNCFYJSFH-IKPAITLHSA-N
MW454.69 g/mol
LogP6.38
Rot. Bonds8

About 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one

1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one (PubChem CID 10389271) has the molecular formula C29H34N2OSi and a molecular weight of 454.69 g/mol. Its IUPAC name is 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one
PubChem CID10389271
Molecular FormulaC29H34N2OSi
Molecular Weight454.69 g/mol
Exact Mass454.24
IUPAC Name1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one
SMILESC[Si](C)(C)C1/C(=N/Cc2ccccc2)C(=O)N(Cc2ccccc2)C1CCc1ccccc1
InChIInChI=1S/C29H34N2OSi/c1-33(2,3)28-26(20-19-23-13-7-4-8-14-23)31(22-25-17-11-6-12-18-25)29(32)27(28)30-21-24-15-9-5-10-16-24/h4-18,26,28H,19-22H2,1-3H3/b30-27-
InChIKeyKLQIARNCFYJSFH-IKPAITLHSA-N
XLogP6.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.69
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651
(3R,4S)-4-(2-phenylethyl)-3-trimethylsilyloxetan-2-one
CID 134988727
(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209098
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
CID 45095274
(4R,5S,6S,7R)-1,3-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(2-phenylethyl)-1,3-diazepan-2-one
CID 10794918
3-benzylimino-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione
CID 90936802
(1S,2S,5R,6R)-2,3,5-tribenzyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 11728700
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
(3S,4S)-2-benzyl-4-deuterio-3-(3-phenylpropyl)-3,4-dihydroisoquinolin-1-one
CID 177439543
5-benzylimino-2,3,6-trichlorocyclohex-2-ene-1,4-dione
CID 163149139
3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one (CID 10389271) is 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one is C[Si](C)(C)C1/C(=N/Cc2ccccc2)C(=O)N(Cc2ccccc2)C1CCc1ccccc1.
What is the InChIKey of 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one?
The InChIKey is KLQIARNCFYJSFH-IKPAITLHSA-N. The full InChI is InChI=1S/C29H34N2OSi/c1-33(2,3)28-26(20-19-23-13-7-4-8-14-23)31(22-25-17-11-6-12-18-25)29(32)27(28)30-21-24-15-9-5-10-16-24/h4-18,26,28H,19-22H2,1-3H3/b30-27-.
What are the key properties of 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one?
1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one has a molecular weight of 454.69 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 10389271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).