2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde

C15H20N2O2S — CID 174582171

IUPAC2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde
SMILESCN1CNC(C(=O)C=O)C1(C)SCCc1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-15(14(13(19)10-18)16-11-17(15)2)20-9-8-12-6-4-3-5-7-12/h3-7,10,14,16H,8-9,11H2,1-2H3
InChIKeyIINDRTQOERTVNG-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.31
Rot. Bonds6

About 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde

2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde (PubChem CID 174582171) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde
PubChem CID174582171
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde
SMILESCN1CNC(C(=O)C=O)C1(C)SCCc1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-15(14(13(19)10-18)16-11-17(15)2)20-9-8-12-6-4-3-5-7-12/h3-7,10,14,16H,8-9,11H2,1-2H3
InChIKeyIINDRTQOERTVNG-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde (CID 174582171) is 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde is CN1CNC(C(=O)C=O)C1(C)SCCc1ccccc1.
What is the InChIKey of 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
The InChIKey is IINDRTQOERTVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(14(13(19)10-18)16-11-17(15)2)20-9-8-12-6-4-3-5-7-12/h3-7,10,14,16H,8-9,11H2,1-2H3.
What are the key properties of 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde?
2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde has a molecular weight of 292.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-dimethyl-5-(2-phenylethylsulfanyl)imidazolidin-4-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 174582171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).