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

C24H19N3O8 — CID 3589221

IUPACmethyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)NC(=Cc3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1
InChIInChI=1S/C24H19N3O8/c1-33-23(29)21-10-8-17(35-21)13-26-22(28)18(25-24(26)30)11-16-7-9-20(19(12-16)27(31)32)34-14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,25,30)
InChIKeyNRRBUGNQBOPETP-UHFFFAOYSA-N
MW477.43 g/mol
LogP3.65
Rot. Bonds8

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

methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 3589221) has the molecular formula C24H19N3O8 and a molecular weight of 477.43 g/mol. Its IUPAC name is methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
PubChem CID3589221
Molecular FormulaC24H19N3O8
Molecular Weight477.43 g/mol
Exact Mass477.12
IUPAC Namemethyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)NC(=Cc3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1
InChIInChI=1S/C24H19N3O8/c1-33-23(29)21-10-8-17(35-21)13-26-22(28)18(25-24(26)30)11-16-7-9-20(19(12-16)27(31)32)34-14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,25,30)
InChIKeyNRRBUGNQBOPETP-UHFFFAOYSA-N
XLogP3.65
TPSA141.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[(4Z)-4-[[4-(naphthalen-1-ylmethoxy)-3-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404499
methyl 5-[[(4Z)-4-[[3-nitro-4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 124549792
methyl 5-[[(4Z)-4-[(5-chloro-3-nitro-2-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126402862
methyl 5-[[(4Z)-4-[[2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6077116
methyl 5-[[(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126407795
2-[2-methoxy-4-[[1-[(5-methoxycarbonylfuran-2-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-nitrophenoxy]acetic acid
CID 4303254
methyl 5-[[(4Z)-4-[[4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404557
methyl 5-[[4-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3948812
methyl 5-[[(4Z)-4-[[3-nitro-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126403574
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-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126403223
methyl 5-[[(4Z)-4-[[4-(2-anilino-2-oxoethoxy)-3-methoxy-5-nitrophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126402749

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate (CID 3589221) is methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C(=O)NC(=Cc3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1.
What is the InChIKey of methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is NRRBUGNQBOPETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O8/c1-33-23(29)21-10-8-17(35-21)13-26-22(28)18(25-24(26)30)11-16-7-9-20(19(12-16)27(31)32)34-14-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,25,30).
What are the key properties of methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 477.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 3589221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).