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

C19H17ClN2O2 — CID 136895794

IUPAC(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCc1ccc(OC)c(/C=C2/N=C(c3ccccc3Cl)NC2=O)c1
InChIInChI=1S/C19H17ClN2O2/c1-3-12-8-9-17(24-2)13(10-12)11-16-19(23)22-18(21-16)14-6-4-5-7-15(14)20/h4-11H,3H2,1-2H3,(H,21,22,23)/b16-11+
InChIKeyBUPHPYDDPWRXOG-LFIBNONCSA-N
MW340.81 g/mol
LogP3.83
Rot. Bonds4

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

(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895794) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895794
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCc1ccc(OC)c(/C=C2/N=C(c3ccccc3Cl)NC2=O)c1
InChIInChI=1S/C19H17ClN2O2/c1-3-12-8-9-17(24-2)13(10-12)11-16-19(23)22-18(21-16)14-6-4-5-7-15(14)20/h4-11H,3H2,1-2H3,(H,21,22,23)/b16-11+
InChIKeyBUPHPYDDPWRXOG-LFIBNONCSA-N
XLogP3.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.83
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)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895826
(4E)-2-[(4-chlorophenyl)methyl]-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937658
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one
CID 136894880
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
CID 136893365
(4E)-2-(4-ethylphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135515997
(4E)-2-(2,6-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895374
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
(4E)-2-[2-(2-chlorophenyl)ethyl]-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895389
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136895794) is (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one is CCc1ccc(OC)c(/C=C2/N=C(c3ccccc3Cl)NC2=O)c1.
What is the InChIKey of (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is BUPHPYDDPWRXOG-LFIBNONCSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-12-8-9-17(24-2)13(10-12)11-16-19(23)22-18(21-16)14-6-4-5-7-15(14)20/h4-11H,3H2,1-2H3,(H,21,22,23)/b16-11+.
What are the key properties of (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 340.81 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).