(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one

C17H20N2O4 — CID 136894498

IUPAC(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
SMILESCOc1ccc(OC)c(/C=C2\N=C(C3CCOCC3)NC2=O)c1
InChIInChI=1S/C17H20N2O4/c1-21-13-3-4-15(22-2)12(9-13)10-14-17(20)19-16(18-14)11-5-7-23-8-6-11/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20)/b14-10-
InChIKeyYFMQFKRDMWAFAT-UVTDQMKNSA-N
MW316.36 g/mol
LogP2.00
Rot. Bonds4

About (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one

(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one (PubChem CID 136894498) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
PubChem CID136894498
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
SMILESCOc1ccc(OC)c(/C=C2\N=C(C3CCOCC3)NC2=O)c1
InChIInChI=1S/C17H20N2O4/c1-21-13-3-4-15(22-2)12(9-13)10-14-17(20)19-16(18-14)11-5-7-23-8-6-11/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20)/b14-10-
InChIKeyYFMQFKRDMWAFAT-UVTDQMKNSA-N
XLogP2.00
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.00
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

(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895826
(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895880
(4E)-2-cyclopentyl-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893767
(4E)-4-benzylidene-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136893396
(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894294
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136895344
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[(4-fluorophenyl)methyl]-1H-imidazol-5-one
CID 136894476
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one
CID 6491687
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894491
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 13080921
(4E)-4-[(2-methoxy-5-methylphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895424

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one (CID 136894498) is (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one is COc1ccc(OC)c(/C=C2\N=C(C3CCOCC3)NC2=O)c1.
What is the InChIKey of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one?
The InChIKey is YFMQFKRDMWAFAT-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-13-3-4-15(22-2)12(9-13)10-14-17(20)19-16(18-14)11-5-7-23-8-6-11/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20)/b14-10-.
What are the key properties of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one?
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one has a molecular weight of 316.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one is sourced from PubChem (CID 136894498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).