5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione

C10H9BrF2N2O2S — CID 86794512

IUPAC5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Br)s2)NC(=O)N(CC(F)F)C1=O
InChIInChI=1S/C10H9BrF2N2O2S/c1-10(5-2-3-6(11)18-5)8(16)15(4-7(12)13)9(17)14-10/h2-3,7H,4H2,1H3,(H,14,17)
InChIKeyWMHSRLJYNMGLBT-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.54
Rot. Bonds3

About 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione

5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 86794512) has the molecular formula C10H9BrF2N2O2S and a molecular weight of 339.16 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione
PubChem CID86794512
Molecular FormulaC10H9BrF2N2O2S
Molecular Weight339.16 g/mol
Exact Mass337.95
IUPAC Name5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Br)s2)NC(=O)N(CC(F)F)C1=O
InChIInChI=1S/C10H9BrF2N2O2S/c1-10(5-2-3-6(11)18-5)8(16)15(4-7(12)13)9(17)14-10/h2-3,7H,4H2,1H3,(H,14,17)
InChIKeyWMHSRLJYNMGLBT-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione (CID 86794512) is 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(Br)s2)NC(=O)N(CC(F)F)C1=O.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is WMHSRLJYNMGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2O2S/c1-10(5-2-3-6(11)18-5)8(16)15(4-7(12)13)9(17)14-10/h2-3,7H,4H2,1H3,(H,14,17).
What are the key properties of 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione?
5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 339.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-3-(2,2-difluoroethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 86794512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).