1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one

C18H26N2O2S — CID 571299

IUPAC1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCSCCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C18H26N2O2S/c1-18(2,3)17-19(4)16(22)14(11-12-23-5)20(17)15(21)13-9-7-6-8-10-13/h6-10,14,17H,11-12H2,1-5H3
InChIKeyMJXJCPCXJYRRJX-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.09
Rot. Bonds4

About 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one

1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one (PubChem CID 571299) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
PubChem CID571299
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
SMILESCSCCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C18H26N2O2S/c1-18(2,3)17-19(4)16(22)14(11-12-23-5)20(17)15(21)13-9-7-6-8-10-13/h6-10,14,17H,11-12H2,1-5H3
InChIKeyMJXJCPCXJYRRJX-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 13491013
(2S,5S)-5-benzyl-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carbonyl chloride
CID 138977927
(2S,5S)-1-benzoyl-2-tert-butyl-5-[(4R)-4-diethoxyphosphoryl-4-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butyl]-3-methylimidazolidin-4-one
CID 10258044
2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
CID 134916919
(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
CID 15172348
2-tert-butyl-N,3,5-trimethyl-4-oxo-N-phenylimidazolidine-1-carboxamide
CID 135142996
[(2R,4S)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidin-3-yl] benzoate
CID 148653520
(5E)-1-benzoyl-2-tert-butyl-5-(3-hydroxy-3-methylbutylidene)-3-methylimidazolidin-4-one
CID 5369776
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
benzyl (2R,4S)-2-tert-butyl-4-(methylsulfanylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146465305
3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
CID 569780

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one?
The IUPAC name of 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one (CID 571299) is 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one.
What is the SMILES notation for 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one?
The canonical SMILES for 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one is CSCCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one?
The InChIKey is MJXJCPCXJYRRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-18(2,3)17-19(4)16(22)14(11-12-23-5)20(17)15(21)13-9-7-6-8-10-13/h6-10,14,17H,11-12H2,1-5H3.
What are the key properties of 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one?
1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one has a molecular weight of 334.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one is sourced from PubChem (CID 571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).