methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

C19H19N3O6 — CID 4311367

IUPACmethyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)NC(=Cc3ccc(N(C)C)cc3O)C2=O)o1
InChIInChI=1S/C19H19N3O6/c1-21(2)12-5-4-11(15(23)9-12)8-14-17(24)22(19(26)20-14)10-13-6-7-16(28-13)18(25)27-3/h4-9,23H,10H2,1-3H3,(H,20,26)
InChIKeyUWTPYVUWOBLXLF-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.93
Rot. Bonds5

About methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 4311367) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
PubChem CID4311367
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Namemethyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)NC(=Cc3ccc(N(C)C)cc3O)C2=O)o1
InChIInChI=1S/C19H19N3O6/c1-21(2)12-5-4-11(15(23)9-12)8-14-17(24)22(19(26)20-14)10-13-6-7-16(28-13)18(25)27-3/h4-9,23H,10H2,1-3H3,(H,20,26)
InChIKeyUWTPYVUWOBLXLF-UHFFFAOYSA-N
XLogP1.93
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(4Z)-4-[[4-(dimethylamino)-2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124551192
methyl 5-[[(4Z)-4-[[2-[(2,4-dibromophenyl)methoxy]-4-(dimethylamino)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126403695
methyl 5-[[(4Z)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6281480
methyl 5-[[(4Z)-4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124554268
methyl 5-[[(4Z)-4-[(5-chloro-2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124550237
methyl 5-[[(4Z)-4-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124551484
methyl 5-[[4-[(5-bromo-2,4-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3720265
methyl 5-[[4-[(4-acetyloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3940164
methyl 5-[[4-[(3,4-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3954499
methyl 5-[[(4Z)-4-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404601
methyl 5-[[(4Z)-4-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6289739
methyl 5-[[4-[(2-bromo-3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 5145371

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (CID 4311367) is methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C(=O)NC(=Cc3ccc(N(C)C)cc3O)C2=O)o1.
What is the InChIKey of methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is UWTPYVUWOBLXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-21(2)12-5-4-11(15(23)9-12)8-14-17(24)22(19(26)20-14)10-13-6-7-16(28-13)18(25)27-3/h4-9,23H,10H2,1-3H3,(H,20,26).
What are the key properties of methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 385.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[[4-(dimethylamino)-2-hydroxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 4311367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).