2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid

C10H11BrN2O3S — CID 116982015

IUPAC2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
SMILESCN1C(=O)N(CC(=O)O)CC1c1ccc(Br)s1
InChIInChI=1S/C10H11BrN2O3S/c1-12-6(7-2-3-8(11)17-7)4-13(10(12)16)5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyDCFQCVJQYVIZFK-UHFFFAOYSA-N
MW319.18 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid

2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 116982015) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID116982015
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
SMILESCN1C(=O)N(CC(=O)O)CC1c1ccc(Br)s1
InChIInChI=1S/C10H11BrN2O3S/c1-12-6(7-2-3-8(11)17-7)4-13(10(12)16)5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyDCFQCVJQYVIZFK-UHFFFAOYSA-N
XLogP2.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-bromothiophen-2-yl)-3-methyl-1-(3-oxobutyl)imidazolidin-2-one
CID 116982714
4-(5-bromothiophen-2-yl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982246
1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981193
4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one
CID 116982680
3-[4-(4-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982042
2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
CID 116982014
2-[4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982457
4-(5-bromothiophen-2-yl)-1-(2-hydroxyethyl)imidazolidin-2-one
CID 116979352
1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981451
4-(5-chlorothiophen-2-yl)-3-methyl-2-oxoimidazolidine-1-carbonitrile
CID 116982351
4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
CID 66867881
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid (CID 116982015) is 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid is CN1C(=O)N(CC(=O)O)CC1c1ccc(Br)s1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is DCFQCVJQYVIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-12-6(7-2-3-8(11)17-7)4-13(10(12)16)5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid?
2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 319.18 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 116982015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).