(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

C15H11N3O5 — CID 697073

IUPAC(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)NC2=O)o1
InChIInChI=1S/C15H11N3O5/c1-8-6-9(18(21)22)2-4-11(8)13-5-3-10(23-13)7-12-14(19)17-15(20)16-12/h2-7H,1H3,(H2,16,17,19,20)/b12-7+
InChIKeyJFLVEEFAEPCWBY-KPKJPENVSA-N
MW313.27 g/mol
LogP2.34
Rot. Bonds3

About (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 697073) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID697073
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)NC2=O)o1
InChIInChI=1S/C15H11N3O5/c1-8-6-9(18(21)22)2-4-11(8)13-5-3-10(23-13)7-12-14(19)17-15(20)16-12/h2-7H,1H3,(H2,16,17,19,20)/b12-7+
InChIKeyJFLVEEFAEPCWBY-KPKJPENVSA-N
XLogP2.34
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
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'}

Analyze (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione 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

Dantrolene
CID 6914273
1-({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione
CID 2952
5-{[5-(4-Methyl-3-nitrophenyl)-2-furyl]methylene}-2,4-imidazolidinedione
CID 674860
1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 5378825
N-carbamoyl-2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-4-oxo-3-thiazolidinyl]acetamide
CID 2485364
5-[(5-{4-Nitrophenyl}-2-furyl)methylene]-2-thioxo-4-imidazolidinone
CID 5718019
(5Z)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2258373
sodium 1-[(E)-[5-(4-nitrophenyl)furan-2-yl]iminomethyl]imidazolidine-2,4-dione
CID 168281551
(5E)-2-imino-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 155532561
(5E)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1269438
5-((5-(4-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2207831
1-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 1360688

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (CID 697073) is (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)NC2=O)o1.
What is the InChIKey of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is JFLVEEFAEPCWBY-KPKJPENVSA-N. The full InChI is InChI=1S/C15H11N3O5/c1-8-6-9(18(21)22)2-4-11(8)13-5-3-10(23-13)7-12-14(19)17-15(20)16-12/h2-7H,1H3,(H2,16,17,19,20)/b12-7+.
What are the key properties of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 313.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 697073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).