1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one

C15H20N2OS — CID 58474581

IUPAC1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one
SMILESCC(C)(C)CC(=S)N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2OS/c1-15(2,3)11-13(19)17-10-9-16(14(17)18)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyBDCWWXLVTYAIDR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.69
Rot. Bonds2

About 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one

1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one (PubChem CID 58474581) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one
PubChem CID58474581
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one
SMILESCC(C)(C)CC(=S)N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2OS/c1-15(2,3)11-13(19)17-10-9-16(14(17)18)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyBDCWWXLVTYAIDR-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one
CID 59647537
N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide
CID 89467864
1-[(3S)-3-azido-4,4-dimethylpentanoyl]-3-phenylimidazolidin-2-one
CID 101255497
ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
CID 143768759
3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117442596
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
3-(2-oxo-3-phenylimidazolidin-1-yl)propanal
CID 84786113
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
CID 43831623
3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
CID 117489746
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807
N-ethyl-2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
CID 71055979

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one?
The IUPAC name of 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one (CID 58474581) is 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one is CC(C)(C)CC(=S)N1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one?
The InChIKey is BDCWWXLVTYAIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)11-13(19)17-10-9-16(14(17)18)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one?
1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one has a molecular weight of 276.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one is sourced from PubChem (CID 58474581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).