3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione

C9H9BrN2O2S — CID 130767279

IUPAC3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccsc2Br)C1=O
InChIInChI=1S/C9H9BrN2O2S/c1-11-5-7(13)12(9(11)14)4-6-2-3-15-8(6)10/h2-3H,4-5H2,1H3
InChIKeyXTHIEKRHYCORDC-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.90
Rot. Bonds2

About 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione

3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 130767279) has the molecular formula C9H9BrN2O2S and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID130767279
Molecular FormulaC9H9BrN2O2S
Molecular Weight289.15 g/mol
Exact Mass287.96
IUPAC Name3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccsc2Br)C1=O
InChIInChI=1S/C9H9BrN2O2S/c1-11-5-7(13)12(9(11)14)4-6-2-3-15-8(6)10/h2-3H,4-5H2,1H3
InChIKeyXTHIEKRHYCORDC-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824032
3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione
CID 86798983
3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
CID 64768228
methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate
CID 115461114
1-methyl-3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 55075196
1-[(2-bromothiophen-3-yl)methyl]-3-propan-2-ylazetidine
CID 127007438
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 60624814
3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 8014740
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4H-quinazolin-2-one
CID 82009150
3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 62209218
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824030

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione (CID 130767279) is 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2ccsc2Br)C1=O.
What is the InChIKey of 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is XTHIEKRHYCORDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2S/c1-11-5-7(13)12(9(11)14)4-6-2-3-15-8(6)10/h2-3H,4-5H2,1H3.
What are the key properties of 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 289.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 130767279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).