4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one

C11H13BrN2O2S — CID 116982680

IUPAC4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one
SMILESCC(=O)CN1CC(c2cc(Br)cs2)N(C)C1=O
InChIInChI=1S/C11H13BrN2O2S/c1-7(15)4-14-5-9(13(2)11(14)16)10-3-8(12)6-17-10/h3,6,9H,4-5H2,1-2H3
InChIKeyVGQWLOLWZWLIEJ-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.51
Rot. Bonds3

About 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one

4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one (PubChem CID 116982680) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one
PubChem CID116982680
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one
SMILESCC(=O)CN1CC(c2cc(Br)cs2)N(C)C1=O
InChIInChI=1S/C11H13BrN2O2S/c1-7(15)4-14-5-9(13(2)11(14)16)10-3-8(12)6-17-10/h3,6,9H,4-5H2,1-2H3
InChIKeyVGQWLOLWZWLIEJ-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-Bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364268
2-(4-Bromothiophen-2-yl)-1-(2-fluoro-2-methylpropanoyl)-3-hydroxyimidazolidin-4-one
CID 137526361
3-[(4-Bromothiophen-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64264880
1-[2-[(5-Bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 9118627
1-[[(5-Bromothiophen-2-yl)methyl-ethylamino]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 16234132
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)propanamide
CID 47056093
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47056100
2-(4-Bromothiophen-2-yl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one
CID 137526719
2-(4-Bromo-2-thienyl)-1,3-dimethylimidazolidine
CID 7471991
(5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8971870
1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8971871
(5-Bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9118626

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one?
The IUPAC name of 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one (CID 116982680) is 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one is CC(=O)CN1CC(c2cc(Br)cs2)N(C)C1=O.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one?
The InChIKey is VGQWLOLWZWLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-7(15)4-14-5-9(13(2)11(14)16)10-3-8(12)6-17-10/h3,6,9H,4-5H2,1-2H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one?
4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one has a molecular weight of 317.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one is sourced from PubChem (CID 116982680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).