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

C20H20N2O2 — CID 136893446

IUPAC(4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(CCC2=N/C(=C\c3ccccc3C)C(=O)N2)cc1
InChIInChI=1S/C20H20N2O2/c1-14-5-3-4-6-16(14)13-18-20(23)22-19(21-18)12-9-15-7-10-17(24-2)11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,21,22,23)/b18-13-
InChIKeyTYCIRGQDNDGXGV-AQTBWJFISA-N
MW320.39 g/mol
LogP3.51
Rot. Bonds5

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

(4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893446) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893446
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(CCC2=N/C(=C\c3ccccc3C)C(=O)N2)cc1
InChIInChI=1S/C20H20N2O2/c1-14-5-3-4-6-16(14)13-18-20(23)22-19(21-18)12-9-15-7-10-17(24-2)11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,21,22,23)/b18-13-
InChIKeyTYCIRGQDNDGXGV-AQTBWJFISA-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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Related Compounds

(4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893445
(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893228
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136895394
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136895339
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894129
(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136893809
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136895921
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136893590
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893427
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894491
(4Z)-4-[(2-bromophenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136894741
(4E)-2-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895234

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one (CID 136893446) is (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(CCC2=N/C(=C\c3ccccc3C)C(=O)N2)cc1.
What is the InChIKey of (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is TYCIRGQDNDGXGV-AQTBWJFISA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-5-3-4-6-16(14)13-18-20(23)22-19(21-18)12-9-15-7-10-17(24-2)11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,21,22,23)/b18-13-.
What are the key properties of (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-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 (4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).