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

C19H17ClN2O — CID 136893964

IUPAC(4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
SMILESCc1ccc(CCC2=N/C(=C/c3cccc(Cl)c3)C(=O)N2)cc1
InChIInChI=1S/C19H17ClN2O/c1-13-5-7-14(8-6-13)9-10-18-21-17(19(23)22-18)12-15-3-2-4-16(20)11-15/h2-8,11-12H,9-10H2,1H3,(H,21,22,23)/b17-12+
InChIKeyJWTZRBSMWLQQCM-SFQUDFHCSA-N
MW324.81 g/mol
LogP4.15
Rot. Bonds4

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

(4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one (PubChem CID 136893964) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
PubChem CID136893964
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
SMILESCc1ccc(CCC2=N/C(=C/c3cccc(Cl)c3)C(=O)N2)cc1
InChIInChI=1S/C19H17ClN2O/c1-13-5-7-14(8-6-13)9-10-18-21-17(19(23)22-18)12-15-3-2-4-16(20)11-15/h2-8,11-12H,9-10H2,1H3,(H,21,22,23)/b17-12+
InChIKeyJWTZRBSMWLQQCM-SFQUDFHCSA-N
XLogP4.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-ethylphenyl)methylidene]-1H-imidazol-5-one
CID 136893706
(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(3-chlorophenyl)ethyl]-1H-imidazol-5-one
CID 136894695
(4E)-2-[2-(3-chlorophenyl)ethyl]-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895928
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894330
(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136894793
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-[2-(4-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136895336
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893335
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136895339
(4Z)-2-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893915
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136894323
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136895494

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one (CID 136893964) is (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one is Cc1ccc(CCC2=N/C(=C/c3cccc(Cl)c3)C(=O)N2)cc1.
What is the InChIKey of (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
The InChIKey is JWTZRBSMWLQQCM-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-13-5-7-14(8-6-13)9-10-18-21-17(19(23)22-18)12-15-3-2-4-16(20)11-15/h2-8,11-12H,9-10H2,1H3,(H,21,22,23)/b17-12+.
What are the key properties of (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one?
(4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one has a molecular weight of 324.81 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one is sourced from PubChem (CID 136893964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).