1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane

C20H25BrFN3O2S — CID 145275618

IUPAC1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane
SMILESCC.CC(C)(C)S(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccccn1
InChIInChI=1S/C18H19BrFN3O2S.C2H6/c1-18(2,3)26(25)23-16(15-6-4-5-9-21-15)11-22(17(23)24)12-7-8-13(19)14(20)10-12;1-2/h4-10,16H,11H2,1-3H3;1-2H3
InChIKeyAWUBEURWYPDBFD-UHFFFAOYSA-N
MW470.41 g/mol
LogP5.45
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane

1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane (PubChem CID 145275618) has the molecular formula C20H25BrFN3O2S and a molecular weight of 470.41 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane
PubChem CID145275618
Molecular FormulaC20H25BrFN3O2S
Molecular Weight470.41 g/mol
Exact Mass469.08
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane
SMILESCC.CC(C)(C)S(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccccn1
InChIInChI=1S/C18H19BrFN3O2S.C2H6/c1-18(2,3)26(25)23-16(15-6-4-5-9-21-15)11-22(17(23)24)12-7-8-13(19)14(20)10-12;1-2/h4-10,16H,11H2,1-3H3;1-2H3
InChIKeyAWUBEURWYPDBFD-UHFFFAOYSA-N
XLogP5.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one
CID 126696678
1-(4-bromo-3-fluorophenyl)-4-pyridin-2-ylimidazolidin-2-one
CID 126696843
2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine
CID 134984084
1-(4-fluorophenyl)-5-pyridin-2-ylimidazolidin-2-one
CID 82132304
3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 65437036
2-[(2R,3S)-1-[(R)-tert-butylsulfinyl]-3-ethenylaziridin-2-yl]pyridine
CID 11288167
1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole
CID 153296396
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522025
1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 65430330
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine
CID 138627412

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane (CID 145275618) is 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane is CC.CC(C)(C)S(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccccn1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane?
The InChIKey is AWUBEURWYPDBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O2S.C2H6/c1-18(2,3)26(25)23-16(15-6-4-5-9-21-15)11-22(17(23)24)12-7-8-13(19)14(20)10-12;1-2/h4-10,16H,11H2,1-3H3;1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane?
1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane has a molecular weight of 470.41 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-tert-butylsulfinyl-4-pyridin-2-ylimidazolidin-2-one;ethane is sourced from PubChem (CID 145275618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).