(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one

C20H19FN2O4 — CID 136894844

IUPAC(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\N=C(Cc2ccc(F)cc2)NC1=O
InChIInChI=1S/C20H19FN2O4/c1-25-16-11-18(27-3)17(26-2)10-13(16)9-15-20(24)23-19(22-15)8-12-4-6-14(21)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)/b15-9-
InChIKeyZRHOZJOYZJZALF-DHDCSXOGSA-N
MW370.38 g/mol
LogP2.96
Rot. Bonds6

About (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136894844) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136894844
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\N=C(Cc2ccc(F)cc2)NC1=O
InChIInChI=1S/C20H19FN2O4/c1-25-16-11-18(27-3)17(26-2)10-13(16)9-15-20(24)23-19(22-15)8-12-4-6-14(21)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)/b15-9-
InChIKeyZRHOZJOYZJZALF-DHDCSXOGSA-N
XLogP2.96
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1H-imidazol-5-one
CID 136894476
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-one
CID 136895379
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1H-imidazol-5-one
CID 136895915
(4Z)-2-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894831
(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936881
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136895394
(4E)-2-[(3,4-dimethoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894319
(4E)-2-[(3,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893159
(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893587
(4E)-2-[(3,4-dimethoxyphenyl)methyl]-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one
CID 136894115
(4E)-2-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895234
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136894868

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136894844) is (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is COc1cc(OC)c(OC)cc1/C=C1\N=C(Cc2ccc(F)cc2)NC1=O.
What is the InChIKey of (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is ZRHOZJOYZJZALF-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-25-16-11-18(27-3)17(26-2)10-13(16)9-15-20(24)23-19(22-15)8-12-4-6-14(21)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)/b15-9-.
What are the key properties of (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 370.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136894844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).