3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one

C17H26N2OS — CID 83263712

IUPAC3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)N(CC(C)CSC)C1=O
InChIInChI=1S/C17H26N2OS/c1-4-8-15-17(20)19(11-13(2)12-21-3)16(18-15)14-9-6-5-7-10-14/h5-7,9-10,13,15-16,18H,4,8,11-12H2,1-3H3
InChIKeyZDHYWEPJSQJLRA-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.28
Rot. Bonds7

About 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one

3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one (PubChem CID 83263712) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
PubChem CID83263712
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)N(CC(C)CSC)C1=O
InChIInChI=1S/C17H26N2OS/c1-4-8-15-17(20)19(11-13(2)12-21-3)16(18-15)14-9-6-5-7-10-14/h5-7,9-10,13,15-16,18H,4,8,11-12H2,1-3H3
InChIKeyZDHYWEPJSQJLRA-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-2-methylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83252910
3-(2-methyl-3-methylsulfanylpropyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83257048
3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83256965
5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one
CID 83270970
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
2-cyclopentyl-3-(2-methyl-3-methylsulfanylpropyl)-5-propylimidazolidin-4-one
CID 83256963
3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one
CID 83239646
5-ethyl-3-(2-methyl-3-methylsulfanylpropyl)-2-propylimidazolidin-4-one
CID 83257307
3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
3-(2-methylbutyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83253783
5-ethyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83256953
5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257798

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one (CID 83263712) is 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one is CCCC1NC(c2ccccc2)N(CC(C)CSC)C1=O.
What is the InChIKey of 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one?
The InChIKey is ZDHYWEPJSQJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-8-15-17(20)19(11-13(2)12-21-3)16(18-15)14-9-6-5-7-10-14/h5-7,9-10,13,15-16,18H,4,8,11-12H2,1-3H3.
What are the key properties of 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one?
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one has a molecular weight of 306.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83263712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).