2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate

C18H13N2O5- — CID 7269294

IUPAC2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H14N2O5/c21-16(22)11-25-14-8-6-12(7-9-14)10-15-17(23)20(18(24)19-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,24)(H,21,22)/p-1/b15-10+
InChIKeyCDHUYSZIGKPOEQ-XNTDXEJSSA-M
MW337.31 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate

2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate (PubChem CID 7269294) has the molecular formula C18H13N2O5- and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate
PubChem CID7269294
Molecular FormulaC18H13N2O5-
Molecular Weight337.31 g/mol
Exact Mass337.08
IUPAC Name2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H14N2O5/c21-16(22)11-25-14-8-6-12(7-9-14)10-15-17(23)20(18(24)19-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,24)(H,21,22)/p-1/b15-10+
InChIKeyCDHUYSZIGKPOEQ-XNTDXEJSSA-M
XLogP0.91
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 2925783
2-[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 21214144
2-[4-[(Z)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
CID 7316469
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
methyl 2-[4-[[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 2937503
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929418
N-phenyl-2-[4-[(E)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide
CID 126061941
2-[2-methoxy-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 7312122
5-[[4-(diethoxymethyl)phenyl]methylidene]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 69395355
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673
2-[2-chloro-4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetic acid
CID 6518927

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate (CID 7269294) is 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate is O=C([O-])COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate?
The InChIKey is CDHUYSZIGKPOEQ-XNTDXEJSSA-M. The full InChI is InChI=1S/C18H14N2O5/c21-16(22)11-25-14-8-6-12(7-9-14)10-15-17(23)20(18(24)19-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,24)(H,21,22)/p-1/b15-10+.
What are the key properties of 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate?
2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate has a molecular weight of 337.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 7269294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).