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

C20H20N2O2 — CID 136893809

IUPAC(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
SMILESCOc1cccc(/C=C2/N=C(CCc3ccc(C)cc3)NC2=O)c1
InChIInChI=1S/C20H20N2O2/c1-14-6-8-15(9-7-14)10-11-19-21-18(20(23)22-19)13-16-4-3-5-17(12-16)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)/b18-13+
InChIKeyJTXNRQBOONSGQG-QGOAFFKASA-N
MW320.39 g/mol
LogP3.51
Rot. Bonds5

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

(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one (PubChem CID 136893809) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
PubChem CID136893809
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
SMILESCOc1cccc(/C=C2/N=C(CCc3ccc(C)cc3)NC2=O)c1
InChIInChI=1S/C20H20N2O2/c1-14-6-8-15(9-7-14)10-11-19-21-18(20(23)22-19)13-16-4-3-5-17(12-16)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)/b18-13+
InChIKeyJTXNRQBOONSGQG-QGOAFFKASA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one (CID 136893809) is (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one is COc1cccc(/C=C2/N=C(CCc3ccc(C)cc3)NC2=O)c1.
What is the InChIKey of (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
The InChIKey is JTXNRQBOONSGQG-QGOAFFKASA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-6-8-15(9-7-14)10-11-19-21-18(20(23)22-19)13-16-4-3-5-17(12-16)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)/b18-13+.
What are the key properties of (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one has a molecular weight of 320.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one is sourced from PubChem (CID 136893809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).