(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one

C19H17ClN2O — CID 136895542

IUPAC(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(C)c(/C=C2/N=C(Cc3ccc(Cl)cc3)NC2=O)c1
InChIInChI=1S/C19H17ClN2O/c1-12-3-4-13(2)15(9-12)11-17-19(23)22-18(21-17)10-14-5-7-16(20)8-6-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)/b17-11+
InChIKeyOTKCAAWGXAPOHS-GZTJUZNOSA-N
MW324.81 g/mol
LogP4.07
Rot. Bonds3

About (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895542) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895542
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(C)c(/C=C2/N=C(Cc3ccc(Cl)cc3)NC2=O)c1
InChIInChI=1S/C19H17ClN2O/c1-12-3-4-13(2)15(9-12)11-17-19(23)22-18(21-17)10-14-5-7-16(20)8-6-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)/b17-11+
InChIKeyOTKCAAWGXAPOHS-GZTJUZNOSA-N
XLogP4.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.07
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

(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893587
(4E)-4-benzylidene-2-[(4-chlorophenyl)methyl]-1H-imidazol-5-one
CID 136893375
(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893104
(4E)-2-[(4-chlorophenyl)methylsulfanyl]-4-[(2,5-dimethylphenyl)methylidene]-1,3-thiazol-5-one
CID 2191147
(4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136893964
(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894844
(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136895494
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1H-imidazol-5-one
CID 136895915
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893335
(4E)-2-[2-(4-chlorophenyl)ethyl]-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894330
(4Z)-4-[(2-bromophenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136894741
(4Z)-2-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893446

Frequently Asked Questions

What is the IUPAC name of (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one (CID 136895542) is (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one is Cc1ccc(C)c(/C=C2/N=C(Cc3ccc(Cl)cc3)NC2=O)c1.
What is the InChIKey of (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is OTKCAAWGXAPOHS-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-12-3-4-13(2)15(9-12)11-17-19(23)22-18(21-17)10-14-5-7-16(20)8-6-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)/b17-11+.
What are the key properties of (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 324.81 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-[(4-chlorophenyl)methyl]-4-[(2,5-dimethylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).