ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate

C21H20N2O4 — CID 2816818

IUPACethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=Cc2ccc(OC)cc2)N=C1c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-3-27-19(24)14-23-20(16-7-5-4-6-8-16)22-18(21(23)25)13-15-9-11-17(26-2)12-10-15/h4-13H,3,14H2,1-2H3
InChIKeyVXOISKMERPJXBH-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.89
Rot. Bonds6

About ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate

ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate (PubChem CID 2816818) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate
PubChem CID2816818
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Nameethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=Cc2ccc(OC)cc2)N=C1c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-3-27-19(24)14-23-20(16-7-5-4-6-8-16)22-18(21(23)25)13-15-9-11-17(26-2)12-10-15/h4-13H,3,14H2,1-2H3
InChIKeyVXOISKMERPJXBH-UHFFFAOYSA-N
XLogP2.89
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethylphenoxy)acetyl]-2-phenyl-4,5-dihydro-1H-imidazole
CID 757447
1-(phenoxyacetyl)-2-phenyl-4,5-dihydro-1H-imidazole
CID 801655
2-{[(4E)-1-benzyl-4-[(4-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetic acid
CID 2393441
2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536185
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
4H-Imidazol-4-one, 3,5-dihydro-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-phenyl-
CID 6448397
4H-Imidazol-4-one, 3,5-dihydro-2-(4-methoxyphenyl)-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-
CID 6448398
methyl 2-[(4E)-3-benzyl-2,5-dioxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 122193486
ethyl 2-[(4E)-3-benzyl-2,5-dioxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 122193540
ethyl 2-[(4Z)-4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]acetate
CID 134133107
(5E)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 5715034
2-[(4E)-5-oxo-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-1-yl]acetamide
CID 5715023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate (CID 2816818) is ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate is CCOC(=O)CN1C(=O)C(=Cc2ccc(OC)cc2)N=C1c1ccccc1.
What is the InChIKey of ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate?
The InChIKey is VXOISKMERPJXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-27-19(24)14-23-20(16-7-5-4-6-8-16)22-18(21(23)25)13-15-9-11-17(26-2)12-10-15/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate?
ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate has a molecular weight of 364.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetate is sourced from PubChem (CID 2816818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).