2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid

C10H11BrN2O3S — CID 116979629

IUPAC2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C10H11BrN2O3S/c1-5(9(14)15)13-3-7(12-10(13)16)8-2-6(11)4-17-8/h2,4-5,7H,3H2,1H3,(H,12,16)(H,14,15)
InChIKeyNISWNWPRTOPROB-UHFFFAOYSA-N
MW319.18 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid

2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116979629) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116979629
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C10H11BrN2O3S/c1-5(9(14)15)13-3-7(12-10(13)16)8-2-6(11)4-17-8/h2,4-5,7H,3H2,1H3,(H,12,16)(H,14,15)
InChIKeyNISWNWPRTOPROB-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116979629) is 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid is CC(C(=O)O)N1CC(c2cc(Br)cs2)NC1=O.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is NISWNWPRTOPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-5(9(14)15)13-3-7(12-10(13)16)8-2-6(11)4-17-8/h2,4-5,7H,3H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 319.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116979629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).