N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide

C13H12N4O4 — CID 6435298

IUPACN-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)N1C
InChIInChI=1S/C13H12N4O4/c1-8(18)14-13-15-12(19)11(16(13)2)7-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,14,15,18,19)/b11-7+
InChIKeyOGHIZHFOFUSLMU-YRNVUSSQSA-N
MW288.26 g/mol
LogP0.90
Rot. Bonds2

About N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide

N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide (PubChem CID 6435298) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide
PubChem CID6435298
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC NameN-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)N1C
InChIInChI=1S/C13H12N4O4/c1-8(18)14-13-15-12(19)11(16(13)2)7-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,14,15,18,19)/b11-7+
InChIKeyOGHIZHFOFUSLMU-YRNVUSSQSA-N
XLogP0.90
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide?
The IUPAC name of N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide (CID 6435298) is N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide.
What is the SMILES notation for N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide?
The canonical SMILES for N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)N1C.
What is the InChIKey of N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide?
The InChIKey is OGHIZHFOFUSLMU-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-8(18)14-13-15-12(19)11(16(13)2)7-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,14,15,18,19)/b11-7+.
What are the key properties of N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide?
N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide has a molecular weight of 288.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide is sourced from PubChem (CID 6435298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).