4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one

C12H15BrN2O2S — CID 116982714

IUPAC4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one
SMILESCC(=O)CCN1CC(c2ccc(Br)s2)N(C)C1=O
InChIInChI=1S/C12H15BrN2O2S/c1-8(16)5-6-15-7-9(14(2)12(15)17)10-3-4-11(13)18-10/h3-4,9H,5-7H2,1-2H3
InChIKeyGNDRKWSBOCHBNN-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.90
Rot. Bonds4

About 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one

4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one (PubChem CID 116982714) has the molecular formula C12H15BrN2O2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one
PubChem CID116982714
Molecular FormulaC12H15BrN2O2S
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one
SMILESCC(=O)CCN1CC(c2ccc(Br)s2)N(C)C1=O
InChIInChI=1S/C12H15BrN2O2S/c1-8(16)5-6-15-7-9(14(2)12(15)17)10-3-4-11(13)18-10/h3-4,9H,5-7H2,1-2H3
InChIKeyGNDRKWSBOCHBNN-UHFFFAOYSA-N
XLogP2.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
CID 116982015
4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982246
1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981193
4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one
CID 116982680
3-[4-(4-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982042
2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982457
4-(5-bromothiophen-2-yl)-1-(2-hydroxyethyl)imidazolidin-2-one
CID 116979352
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
4-[(5-bromothiophen-2-yl)methylamino]butan-2-one
CID 115235637
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981441
4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidine-1-carbonitrile
CID 116982351

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one?
The IUPAC name of 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one (CID 116982714) is 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one is CC(=O)CCN1CC(c2ccc(Br)s2)N(C)C1=O.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one?
The InChIKey is GNDRKWSBOCHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2S/c1-8(16)5-6-15-7-9(14(2)12(15)17)10-3-4-11(13)18-10/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one?
4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one has a molecular weight of 331.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one is sourced from PubChem (CID 116982714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).