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

C20H20N2O2 — CID 136893445

IUPAC(4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cccc(CCC2=N/C(=C\c3ccccc3C)C(=O)N2)c1
InChIInChI=1S/C20H20N2O2/c1-14-6-3-4-8-16(14)13-18-20(23)22-19(21-18)11-10-15-7-5-9-17(12-15)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)/b18-13-
InChIKeyMEMMRGVWTBOVCC-AQTBWJFISA-N
MW320.39 g/mol
LogP3.51
Rot. Bonds5

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

(4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893445) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893445
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cccc(CCC2=N/C(=C\c3ccccc3C)C(=O)N2)c1
InChIInChI=1S/C20H20N2O2/c1-14-6-3-4-8-16(14)13-18-20(23)22-19(21-18)11-10-15-7-5-9-17(12-15)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)/b18-13-
InChIKeyMEMMRGVWTBOVCC-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

(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136893809
(4E)-2-[2-(3-chlorophenyl)ethyl]-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895928
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136895494
(4Z)-2-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893915
(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
(4E)-2-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893228
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136894323
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136893590
(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[2-(3-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136895123
(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894727
(4E)-2-[2-(2-chlorophenyl)ethyl]-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136894907

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one (CID 136893445) is (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one is COc1cccc(CCC2=N/C(=C\c3ccccc3C)C(=O)N2)c1.
What is the InChIKey of (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is MEMMRGVWTBOVCC-AQTBWJFISA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-6-3-4-8-16(14)13-18-20(23)22-19(21-18)11-10-15-7-5-9-17(12-15)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)/b18-13-.
What are the key properties of (4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-[2-(3-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-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).