(4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one

C16H11Cl2N3O — CID 135436265

IUPAC(4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(Nc2ccccc2)=N/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-12-7-4-8-13(18)11(12)9-14-15(22)21-16(20-14)19-10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)/b14-9-
InChIKeyKTBPRJSAQNVVMB-ZROIWOOFSA-N
MW332.19 g/mol
LogP3.93
Rot. Bonds2

About (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135436265) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one
PubChem CID135436265
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name(4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(Nc2ccccc2)=N/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-12-7-4-8-13(18)11(12)9-14-15(22)21-16(20-14)19-10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)/b14-9-
InChIKeyKTBPRJSAQNVVMB-ZROIWOOFSA-N
XLogP3.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one (CID 135436265) is (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(Nc2ccccc2)=N/C1=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is KTBPRJSAQNVVMB-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-12-7-4-8-13(18)11(12)9-14-15(22)21-16(20-14)19-10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)/b14-9-.
What are the key properties of (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 332.19 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-anilino-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135436265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).