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

C19H18N2O2 — CID 155295827

IUPAC(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
SMILESCOc1cccc(/C=C2\N=C(CCc3ccccc3)NC2=O)c1
InChIInChI=1S/C19H18N2O2/c1-23-16-9-5-8-15(12-16)13-17-19(22)21-18(20-17)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,21,22)/b17-13-
InChIKeyVVPQCAQUYXEEFK-LGMDPLHJSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds5

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

(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one (PubChem CID 155295827) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
PubChem CID155295827
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
SMILESCOc1cccc(/C=C2\N=C(CCc3ccccc3)NC2=O)c1
InChIInChI=1S/C19H18N2O2/c1-23-16-9-5-8-15(12-16)13-17-19(22)21-18(20-17)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,21,22)/b17-13-
InChIKeyVVPQCAQUYXEEFK-LGMDPLHJSA-N
XLogP3.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
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 (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one (CID 155295827) is (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one is COc1cccc(/C=C2\N=C(CCc3ccccc3)NC2=O)c1.
What is the InChIKey of (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
The InChIKey is VVPQCAQUYXEEFK-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-16-9-5-8-15(12-16)13-17-19(22)21-18(20-17)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,21,22)/b17-13-.
What are the key properties of (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one has a molecular weight of 306.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-methoxyphenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one is sourced from PubChem (CID 155295827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).