ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate

C19H22N2O6 — CID 134133107

IUPACethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate
SMILESCCOC(=O)COc1ccc(/C=C2\N=C(C)N(CC(=O)OCC)C2=O)cc1
InChIInChI=1S/C19H22N2O6/c1-4-25-17(22)11-21-13(3)20-16(19(21)24)10-14-6-8-15(9-7-14)27-12-18(23)26-5-2/h6-10H,4-5,11-12H2,1-3H3/b16-10-
InChIKeyZNSXMPNUKUZCFD-YBEGLDIGSA-N
MW374.39 g/mol
LogP1.79
Rot. Bonds8

About ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate

ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate (PubChem CID 134133107) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate
PubChem CID134133107
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Nameethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate
SMILESCCOC(=O)COc1ccc(/C=C2\N=C(C)N(CC(=O)OCC)C2=O)cc1
InChIInChI=1S/C19H22N2O6/c1-4-25-17(22)11-21-13(3)20-16(19(21)24)10-14-6-8-15(9-7-14)27-12-18(23)26-5-2/h6-10H,4-5,11-12H2,1-3H3/b16-10-
InChIKeyZNSXMPNUKUZCFD-YBEGLDIGSA-N
XLogP1.79
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate (CID 134133107) is ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate is CCOC(=O)COc1ccc(/C=C2\N=C(C)N(CC(=O)OCC)C2=O)cc1.
What is the InChIKey of ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate?
The InChIKey is ZNSXMPNUKUZCFD-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-25-17(22)11-21-13(3)20-16(19(21)24)10-14-6-8-15(9-7-14)27-12-18(23)26-5-2/h6-10H,4-5,11-12H2,1-3H3/b16-10-.
What are the key properties of ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate?
ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate has a molecular weight of 374.39 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate is sourced from PubChem (CID 134133107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).