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

C9H9BrN2O3S — CID 116979483

IUPAC2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C9H9BrN2O3S/c10-5-1-7(16-4-5)6-2-12(3-8(13)14)9(15)11-6/h1,4,6H,2-3H2,(H,11,15)(H,13,14)
InChIKeyWXWZKKPCZCBTNT-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.66
Rot. Bonds3

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

2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 116979483) has the molecular formula C9H9BrN2O3S and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID116979483
Molecular FormulaC9H9BrN2O3S
Molecular Weight305.15 g/mol
Exact Mass303.95
IUPAC Name2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C9H9BrN2O3S/c10-5-1-7(16-4-5)6-2-12(3-8(13)14)9(15)11-6/h1,4,6H,2-3H2,(H,11,15)(H,13,14)
InChIKeyWXWZKKPCZCBTNT-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 4226682
2-[[(4-Bromothiophen-2-yl)methyl-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264188
2-[1-Thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266105
2-[(5-Bromothiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266523
2-[(4-Bromothiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266594
2-[[(4-Bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788590
2-[(4-Bromothiophen-2-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801383
2-[(3-Bromothiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80481691
1-[2-[(5-Bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 9118627
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47056100
5-(4-Bromothiophen-2-yl)imidazolidine-2,4-dione
CID 22858155
2-(4-Bromo-5-deuteriothiophen-2-yl)-3-hydroxyimidazolidin-4-one
CID 137526112

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid (CID 116979483) is 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CC(c2cc(Br)cs2)NC1=O.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is WXWZKKPCZCBTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3S/c10-5-1-7(16-4-5)6-2-12(3-8(13)14)9(15)11-6/h1,4,6H,2-3H2,(H,11,15)(H,13,14).
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid?
2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 305.15 g/mol, XLogP of 1.66, 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]acetic acid is sourced from PubChem (CID 116979483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).