3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid

C22H23N3O6 — CID 10410138

IUPAC3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2CCN(c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1
InChIInChI=1S/C22H23N3O6/c26-20(23-10-12-30-13-11-23)15-31-19-6-4-17(5-7-19)24-8-9-25(22(24)29)18-3-1-2-16(14-18)21(27)28/h1-7,14H,8-13,15H2,(H,27,28)
InChIKeyXAXZNXDQSVMZRS-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.07
Rot. Bonds6

About 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid

3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid (PubChem CID 10410138) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid
PubChem CID10410138
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2CCN(c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1
InChIInChI=1S/C22H23N3O6/c26-20(23-10-12-30-13-11-23)15-31-19-6-4-17(5-7-19)24-8-9-25(22(24)29)18-3-1-2-16(14-18)21(27)28/h1-7,14H,8-13,15H2,(H,27,28)
InChIKeyXAXZNXDQSVMZRS-UHFFFAOYSA-N
XLogP2.07
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-oxo-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]imidazolidin-1-yl]benzoic acid
CID 58678599
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
3-[(5E)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 126102224
3-[2-oxo-3-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]benzoic acid
CID 11530208
3-[3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10379815
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
CID 63096969
(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204669

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid (CID 10410138) is 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid is O=C(O)c1cccc(N2CCN(c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1.
What is the InChIKey of 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid?
The InChIKey is XAXZNXDQSVMZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c26-20(23-10-12-30-13-11-23)15-31-19-6-4-17(5-7-19)24-8-9-25(22(24)29)18-3-1-2-16(14-18)21(27)28/h1-7,14H,8-13,15H2,(H,27,28).
What are the key properties of 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid?
3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid has a molecular weight of 425.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoimidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 10410138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).