3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

C14H18N2O4 — CID 28932856

IUPAC3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCCN1CCNC1=O
InChIInChI=1S/C14H18N2O4/c1-9-7-11(13(17)18)8-10(2)12(9)20-6-5-16-4-3-15-14(16)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBLTRBPSYQPMPMI-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.41
Rot. Bonds5

About 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid

3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (PubChem CID 28932856) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
PubChem CID28932856
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCCN1CCNC1=O
InChIInChI=1S/C14H18N2O4/c1-9-7-11(13(17)18)8-10(2)12(9)20-6-5-16-4-3-15-14(16)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBLTRBPSYQPMPMI-UHFFFAOYSA-N
XLogP1.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(Acetylamino)ethoxy]benzoic acid
CID 660645
Benzoic acid, 4-(2-(diethylamino)ethoxy)-3,5-dipropyl-, hydrochloride
CID 57768
Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-(diethylamino)ethyl ester, hydrochloride
CID 57815
Benzoic acid, 3,5-dipropyl-4-(2-(diethylamino)ethoxy)-, ethyl ester, hydrochloride
CID 57876
4-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid
CID 2755997
4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]-3,5-dimethylbenzoic acid
CID 44371646
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-hydroxybenzoate
CID 7776968
4-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-3-methylbenzoic acid
CID 68244568
4-[1-(Dimethylcarbamoylamino)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]benzoic acid
CID 142787475
4-[2-(Diethylamino)ethoxy]-3,5-dipropylbenzoic acid
CID 57769
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-fluoro-4-methoxybenzoate
CID 27704960
3,5-Dimethyl-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzoic acid
CID 61492263

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid (CID 28932856) is 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is Cc1cc(C(=O)O)cc(C)c1OCCN1CCNC1=O.
What is the InChIKey of 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is BLTRBPSYQPMPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-7-11(13(17)18)8-10(2)12(9)20-6-5-16-4-3-15-14(16)19/h7-8H,3-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid?
3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 28932856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).