1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one

C8H7BrN2O2S — CID 60954640

IUPAC1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1csc(Br)c1
InChIInChI=1S/C8H7BrN2O2S/c9-6-3-5(4-14-6)7(12)11-2-1-10-8(11)13/h3-4H,1-2H2,(H,10,13)
InChIKeyGZCDFXHYRWXGKX-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.68
Rot. Bonds1

About 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one

1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one (PubChem CID 60954640) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one
PubChem CID60954640
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1csc(Br)c1
InChIInChI=1S/C8H7BrN2O2S/c9-6-3-5(4-14-6)7(12)11-2-1-10-8(11)13/h3-4H,1-2H2,(H,10,13)
InChIKeyGZCDFXHYRWXGKX-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one (CID 60954640) is 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one?
The InChIKey is GZCDFXHYRWXGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c9-6-3-5(4-14-6)7(12)11-2-1-10-8(11)13/h3-4H,1-2H2,(H,10,13).
What are the key properties of 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one?
1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one has a molecular weight of 275.13 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 60954640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).