3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid

C19H20N2O4 — CID 11530208

IUPAC3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
SMILESCC(C)Oc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1
InChIInChI=1S/C19H20N2O4/c1-13(2)25-17-8-6-15(7-9-17)20-10-11-21(19(20)24)16-5-3-4-14(12-16)18(22)23/h3-9,12-13H,10-11H2,1-2H3,(H,22,23)
InChIKeyOOEWABOIBYBKFM-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.62
Rot. Bonds5

About 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid

3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid (PubChem CID 11530208) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
PubChem CID11530208
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
SMILESCC(C)Oc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1
InChIInChI=1S/C19H20N2O4/c1-13(2)25-17-8-6-15(7-9-17)20-10-11-21(19(20)24)16-5-3-4-14(12-16)18(22)23/h3-9,12-13H,10-11H2,1-2H3,(H,22,23)
InChIKeyOOEWABOIBYBKFM-UHFFFAOYSA-N
XLogP3.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid (CID 11530208) is 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid is CC(C)Oc1ccc(N2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.
What is the InChIKey of 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid?
The InChIKey is OOEWABOIBYBKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(2)25-17-8-6-15(7-9-17)20-10-11-21(19(20)24)16-5-3-4-14(12-16)18(22)23/h3-9,12-13H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid?
3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 11530208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).