methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

C14H13ClN2O5 — CID 6490231

IUPACmethyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C14H13ClN2O5/c1-21-11-4-3-8(5-9(11)15)6-10-13(19)17(14(20)16-10)7-12(18)22-2/h3-6H,7H2,1-2H3,(H,16,20)/b10-6+
InChIKeyNUMQBRXGGKTFEV-UXBLZVDNSA-N
MW324.72 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 6490231) has the molecular formula C14H13ClN2O5 and a molecular weight of 324.72 g/mol. Its IUPAC name is methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID6490231
Molecular FormulaC14H13ClN2O5
Molecular Weight324.72 g/mol
Exact Mass324.05
IUPAC Namemethyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C14H13ClN2O5/c1-21-11-4-3-8(5-9(11)15)6-10-13(19)17(14(20)16-10)7-12(18)22-2/h3-6H,7H2,1-2H3,(H,16,20)/b10-6+
InChIKeyNUMQBRXGGKTFEV-UXBLZVDNSA-N
XLogP1.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 51.41
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'}

Analyze methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490196
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
2-[(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 6491916
methyl 2-[4-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 3592497
methyl 5-[[4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3909367
4-[[2-methoxy-4-[(E)-[1-(2-methoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 6084401
2-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 7457894
methyl 2-[4-[(E)-[1-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 22779333
methyl 2-[(4E)-2,5-dioxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 6369056
methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 6490231) is methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(Cl)c2)C1=O.
What is the InChIKey of methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is NUMQBRXGGKTFEV-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H13ClN2O5/c1-21-11-4-3-8(5-9(11)15)6-10-13(19)17(14(20)16-10)7-12(18)22-2/h3-6H,7H2,1-2H3,(H,16,20)/b10-6+.
What are the key properties of methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 324.72 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 6490231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).