3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione

C10H9BrN2O3S — CID 60624814

IUPAC3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)c2ccc(Br)s2)C1=O
InChIInChI=1S/C10H9BrN2O3S/c1-12-5-9(15)13(10(12)16)4-6(14)7-2-3-8(11)17-7/h2-3H,4-5H2,1H3
InChIKeyMQJUVQWWPVDITE-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.59
Rot. Bonds3

About 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione

3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 60624814) has the molecular formula C10H9BrN2O3S and a molecular weight of 317.16 g/mol. Its IUPAC name is 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
PubChem CID60624814
Molecular FormulaC10H9BrN2O3S
Molecular Weight317.16 g/mol
Exact Mass315.95
IUPAC Name3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)c2ccc(Br)s2)C1=O
InChIInChI=1S/C10H9BrN2O3S/c1-12-5-9(15)13(10(12)16)4-6(14)7-2-3-8(11)17-7/h2-3H,4-5H2,1H3
InChIKeyMQJUVQWWPVDITE-UHFFFAOYSA-N
XLogP1.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824253
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017494
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 62017896
2-(4-acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 43227756
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-4-propylpyrrolidin-2-one
CID 113421178
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 60624816
4-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62025188
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(2-ethylphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 16801144
6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62024815
1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43227068
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-(5-bromothiophen-2-yl)-2-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62774039

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione (CID 60624814) is 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(=O)c2ccc(Br)s2)C1=O.
What is the InChIKey of 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is MQJUVQWWPVDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3S/c1-12-5-9(15)13(10(12)16)4-6(14)7-2-3-8(11)17-7/h2-3H,4-5H2,1H3.
What are the key properties of 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 317.16 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60624814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).