(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one

C22H24N2O3 — CID 136895712

IUPAC(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one
SMILESCCc1cc(/C=C2/N=C(CCc3ccccc3OC)NC2=O)ccc1OC
InChIInChI=1S/C22H24N2O3/c1-4-16-13-15(9-11-20(16)27-3)14-18-22(25)24-21(23-18)12-10-17-7-5-6-8-19(17)26-2/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,24,25)/b18-14+
InChIKeyMNTDXDKPKADMRQ-NBVRZTHBSA-N
MW364.45 g/mol
LogP3.77
Rot. Bonds7

About (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one

(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one (PubChem CID 136895712) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one
PubChem CID136895712
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one
SMILESCCc1cc(/C=C2/N=C(CCc3ccccc3OC)NC2=O)ccc1OC
InChIInChI=1S/C22H24N2O3/c1-4-16-13-15(9-11-20(16)27-3)14-18-22(25)24-21(23-18)12-10-17-7-5-6-8-19(17)26-2/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,24,25)/b18-14+
InChIKeyMNTDXDKPKADMRQ-NBVRZTHBSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894491
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895684
(4E)-2-ethyl-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895193
(4E)-2-[2-(2-fluorophenyl)ethyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894586
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895677
(4E)-2-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895234
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136895921
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136894323
(4E)-2-[2-(2-chlorophenyl)ethyl]-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895389
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894330
(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[2-(3-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136895123
(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136895118

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one (CID 136895712) is (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one is CCc1cc(/C=C2/N=C(CCc3ccccc3OC)NC2=O)ccc1OC.
What is the InChIKey of (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one?
The InChIKey is MNTDXDKPKADMRQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-16-13-15(9-11-20(16)27-3)14-18-22(25)24-21(23-18)12-10-17-7-5-6-8-19(17)26-2/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,24,25)/b18-14+.
What are the key properties of (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one?
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one has a molecular weight of 364.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one is sourced from PubChem (CID 136895712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).