(4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one

C16H9ClN4O5 — CID 135675118

IUPAC(4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H9ClN4O5/c17-12-5-4-10(8-14(12)21(25)26)15-18-13(16(22)19-15)7-9-2-1-3-11(6-9)20(23)24/h1-8H,(H,18,19,22)/b13-7-
InChIKeyQBEOMNFBFDWULI-QPEQYQDCSA-N
MW372.72 g/mol
LogP3.07
Rot. Bonds4

About (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135675118) has the molecular formula C16H9ClN4O5 and a molecular weight of 372.72 g/mol. Its IUPAC name is (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one
PubChem CID135675118
Molecular FormulaC16H9ClN4O5
Molecular Weight372.72 g/mol
Exact Mass372.03
IUPAC Name(4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H9ClN4O5/c17-12-5-4-10(8-14(12)21(25)26)15-18-13(16(22)19-15)7-9-2-1-3-11(6-9)20(23)24/h1-8H,(H,18,19,22)/b13-7-
InChIKeyQBEOMNFBFDWULI-QPEQYQDCSA-N
XLogP3.07
TPSA127.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one 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 (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one (CID 135675118) is (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is QBEOMNFBFDWULI-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H9ClN4O5/c17-12-5-4-10(8-14(12)21(25)26)15-18-13(16(22)19-15)7-9-2-1-3-11(6-9)20(23)24/h1-8H,(H,18,19,22)/b13-7-.
What are the key properties of (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 372.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135675118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).