5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

C13H15BrN2O4 — CID 115961943

IUPAC5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESCc1cc(Br)cc(C(=O)O)c1OCCN1CCNC1=O
InChIInChI=1S/C13H15BrN2O4/c1-8-6-9(14)7-10(12(17)18)11(8)20-5-4-16-3-2-15-13(16)19/h6-7H,2-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyMXTXTUUBFNUVIA-UHFFFAOYSA-N
MW343.18 g/mol
LogP1.86
Rot. Bonds5

About 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (PubChem CID 115961943) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
PubChem CID115961943
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESCc1cc(Br)cc(C(=O)O)c1OCCN1CCNC1=O
InChIInChI=1S/C13H15BrN2O4/c1-8-6-9(14)7-10(12(17)18)11(8)20-5-4-16-3-2-15-13(16)19/h6-7H,2-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyMXTXTUUBFNUVIA-UHFFFAOYSA-N
XLogP1.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
CID 112621106
3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 28932856
5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 115962106
1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one
CID 123156882
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
CID 28967044
1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one
CID 83133891
5-bromo-2-(3-methoxypropoxy)-3-methylbenzoic acid
CID 112620911
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632
5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzoic acid
CID 112620899
3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 112612045
1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one
CID 149395147
1,3-bis[2-methyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]phenyl]urea
CID 167826131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (CID 115961943) is 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is Cc1cc(Br)cc(C(=O)O)c1OCCN1CCNC1=O.
What is the InChIKey of 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is MXTXTUUBFNUVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c1-8-6-9(14)7-10(12(17)18)11(8)20-5-4-16-3-2-15-13(16)19/h6-7H,2-5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 343.18 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 115961943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).