methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

C24H19BrN2O6 — CID 126404429

IUPACmethyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)o1
InChIInChI=1S/C24H19BrN2O6/c1-31-23(29)21-11-10-19(33-21)13-27-22(28)20(26-24(27)30)12-15-4-8-18(9-5-15)32-14-16-2-6-17(25)7-3-16/h2-12H,13-14H2,1H3,(H,26,30)/b20-12-
InChIKeyLUNTZOACTVUEQB-NDENLUEZSA-N
MW511.33 g/mol
LogP4.50
Rot. Bonds7

About methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 126404429) has the molecular formula C24H19BrN2O6 and a molecular weight of 511.33 g/mol. Its IUPAC name is methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
PubChem CID126404429
Molecular FormulaC24H19BrN2O6
Molecular Weight511.33 g/mol
Exact Mass510.04
IUPAC Namemethyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)o1
InChIInChI=1S/C24H19BrN2O6/c1-31-23(29)21-11-10-19(33-21)13-27-22(28)20(26-24(27)30)12-15-4-8-18(9-5-15)32-14-16-2-6-17(25)7-3-16/h2-12H,13-14H2,1H3,(H,26,30)/b20-12-
InChIKeyLUNTZOACTVUEQB-NDENLUEZSA-N
XLogP4.50
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.33
LogP ≤ 54.50
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

methyl 5-[[4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3556117
methyl 5-[[4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 5035524
methyl 5-[[(4Z)-2,5-dioxo-4-[(4-prop-2-ynoxyphenyl)methylidene]imidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6174863
methyl 5-[[4-[(4-acetyloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3940164
methyl 5-[[(4Z)-4-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404028
methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404092
methyl 5-[[(4Z)-4-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126402592
methyl 5-[[(4Z)-4-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126405924
methyl 5-[[(4Z)-4-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126402544
methyl 5-[[4-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3552984
4-[[3-[(Z)-[1-[(5-methoxycarbonylfuran-2-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 6180379
(5E)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243860

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (CID 126404429) is methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)o1.
What is the InChIKey of methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is LUNTZOACTVUEQB-NDENLUEZSA-N. The full InChI is InChI=1S/C24H19BrN2O6/c1-31-23(29)21-11-10-19(33-21)13-27-22(28)20(26-24(27)30)12-15-4-8-18(9-5-15)32-14-16-2-6-17(25)7-3-16/h2-12H,13-14H2,1H3,(H,26,30)/b20-12-.
What are the key properties of methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 511.33 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 126404429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).