methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

C21H15ClN2O6 — CID 6184448

IUPACmethyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)o1
InChIInChI=1S/C21H15ClN2O6/c1-28-20(26)18-8-6-15(30-18)11-24-19(25)16(23-21(24)27)10-14-5-7-17(29-14)12-3-2-4-13(22)9-12/h2-10H,11H2,1H3,(H,23,27)/b16-10-
InChIKeyWAJMIXPUNMOLFF-YBEGLDIGSA-N
MW426.81 g/mol
LogP4.07
Rot. Bonds5

About methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 6184448) has the molecular formula C21H15ClN2O6 and a molecular weight of 426.81 g/mol. Its IUPAC name is methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
PubChem CID6184448
Molecular FormulaC21H15ClN2O6
Molecular Weight426.81 g/mol
Exact Mass426.06
IUPAC Namemethyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)o1
InChIInChI=1S/C21H15ClN2O6/c1-28-20(26)18-8-6-15(30-18)11-24-19(25)16(23-21(24)27)10-14-5-7-17(29-14)12-3-2-4-13(22)9-12/h2-10H,11H2,1H3,(H,23,27)/b16-10-
InChIKeyWAJMIXPUNMOLFF-YBEGLDIGSA-N
XLogP4.07
TPSA101.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 5225466
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 957263
methyl 5-[[4-[(3,4-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3954499
methyl 5-[[4-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3552984
methyl 5-[[(4Z)-4-[(5-chloro-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124549962
methyl 5-[[4-[[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 5039138
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-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124554268
methyl 5-[[4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3909367
methyl 5-[[(4Z)-4-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126403964
3-[[4-chloro-2-[(Z)-[1-[(5-methoxycarbonylfuran-2-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126405236
5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 3747724

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (CID 6184448) is methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)o1.
What is the InChIKey of methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is WAJMIXPUNMOLFF-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H15ClN2O6/c1-28-20(26)18-8-6-15(30-18)11-24-19(25)16(23-21(24)27)10-14-5-7-17(29-14)12-3-2-4-13(22)9-12/h2-10H,11H2,1H3,(H,23,27)/b16-10-.
What are the key properties of methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 426.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 6184448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).