3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

C12H13ClN2O4 — CID 112612045

IUPAC3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCCN1CCNC1=O
InChIInChI=1S/C12H13ClN2O4/c13-9-3-1-2-8(11(16)17)10(9)19-7-6-15-5-4-14-12(15)18/h1-3H,4-7H2,(H,14,18)(H,16,17)
InChIKeyKYUDIFSLQRKXLS-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.44
Rot. Bonds5

About 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (PubChem CID 112612045) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
PubChem CID112612045
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCCN1CCNC1=O
InChIInChI=1S/C12H13ClN2O4/c13-9-3-1-2-8(11(16)17)10(9)19-7-6-15-5-4-14-12(15)18/h1-3H,4-7H2,(H,14,18)(H,16,17)
InChIKeyKYUDIFSLQRKXLS-UHFFFAOYSA-N
XLogP1.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 115961943
3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 28932856
3-chloro-2-heptoxybenzoic acid
CID 112611877
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
3-chloro-2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 112612064
2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
CID 83822306
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
3-chloro-2-(pyridin-4-ylmethoxy)benzoic acid
CID 112612042
1-[2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]ethyl]imidazolidin-2-one
CID 63091226

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (CID 112612045) is 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is O=C(O)c1cccc(Cl)c1OCCN1CCNC1=O.
What is the InChIKey of 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is KYUDIFSLQRKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c13-9-3-1-2-8(11(16)17)10(9)19-7-6-15-5-4-14-12(15)18/h1-3H,4-7H2,(H,14,18)(H,16,17).
What are the key properties of 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 284.70 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 112612045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).