(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

C17H15N3O5 — CID 21374381

IUPAC(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)o1
InChIInChI=1S/C17H15N3O5/c1-10-7-13(11(2)25-10)8-15-16(21)19(17(22)18-15)9-12-3-5-14(6-4-12)20(23)24/h3-8H,9H2,1-2H3,(H,18,22)/b15-8-
InChIKeyAKYYQUDCBGSQCX-NVNXTCNLSA-N
MW341.32 g/mol
LogP2.90
Rot. Bonds4

About (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 21374381) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID21374381
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)o1
InChIInChI=1S/C17H15N3O5/c1-10-7-13(11(2)25-10)8-15-16(21)19(17(22)18-15)9-12-3-5-14(6-4-12)20(23)24/h3-8H,9H2,1-2H3,(H,18,22)/b15-8-
InChIKeyAKYYQUDCBGSQCX-NVNXTCNLSA-N
XLogP2.90
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241120
5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 3923538
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 50867817
(5E)-5-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126246964
methyl 5-[[(4Z)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6281480
5-[[2-methoxy-4-[[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3930008
(5E)-3-[(4-bromophenyl)methyl]-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 1317032
(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 50864008
(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 126148641
3-[2-[(Z)-[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126098399
methyl 5-[[(4Z)-4-[[2,5-dimethyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]pyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126407594
methyl 5-[[(4Z)-4-[[5-nitro-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126412637

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 21374381) is (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is Cc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)o1.
What is the InChIKey of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is AKYYQUDCBGSQCX-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-10-7-13(11(2)25-10)8-15-16(21)19(17(22)18-15)9-12-3-5-14(6-4-12)20(23)24/h3-8H,9H2,1-2H3,(H,18,22)/b15-8-.
What are the key properties of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 341.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 21374381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).