(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one

C19H17FN2O3 — CID 136894880

IUPAC(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3ccccc3F)NC2=O)c(OC)cc1C
InChIInChI=1S/C19H17FN2O3/c1-11-8-17(25-3)12(10-16(11)24-2)9-15-19(23)22-18(21-15)13-6-4-5-7-14(13)20/h4-10H,1-3H3,(H,21,22,23)/b15-9+
InChIKeyJWEITZQWMBRDOX-OQLLNIDSSA-N
MW340.35 g/mol
LogP3.07
Rot. Bonds4

About (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one

(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one (PubChem CID 136894880) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one
PubChem CID136894880
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3ccccc3F)NC2=O)c(OC)cc1C
InChIInChI=1S/C19H17FN2O3/c1-11-8-17(25-3)12(10-16(11)24-2)9-15-19(23)22-18(21-15)13-6-4-5-7-14(13)20/h4-10H,1-3H3,(H,21,22,23)/b15-9+
InChIKeyJWEITZQWMBRDOX-OQLLNIDSSA-N
XLogP3.07
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894831
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893624
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
CID 136893365
(4E)-2-(2-chlorophenyl)-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895794
(4E)-2-[2-(2-chlorophenyl)ethyl]-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136894907
(3E)-3-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-indol-2-one
CID 112979013
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136894868
(4E)-2-(2,6-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895374
(4Z)-2-pyridin-4-yl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894824
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894842
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4E)-2-(3,4-difluorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895400

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one (CID 136894880) is (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one is COc1cc(/C=C2/N=C(c3ccccc3F)NC2=O)c(OC)cc1C.
What is the InChIKey of (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one?
The InChIKey is JWEITZQWMBRDOX-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11-8-17(25-3)12(10-16(11)24-2)9-15-19(23)22-18(21-15)13-6-4-5-7-14(13)20/h4-10H,1-3H3,(H,21,22,23)/b15-9+.
What are the key properties of (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one?
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one has a molecular weight of 340.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one is sourced from PubChem (CID 136894880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).