(4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one

C16H10Cl3N3O — CID 135499618

IUPAC(4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(Nc2cccc(Cl)c2)=N/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl3N3O/c17-9-3-1-4-10(7-9)20-16-21-14(15(23)22-16)8-11-12(18)5-2-6-13(11)19/h1-8H,(H2,20,21,22,23)/b14-8-
InChIKeyDGBIGFAKYXBZSW-ZSOIEALJSA-N
MW366.64 g/mol
LogP4.59
Rot. Bonds2

About (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135499618) has the molecular formula C16H10Cl3N3O and a molecular weight of 366.64 g/mol. Its IUPAC name is (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one
PubChem CID135499618
Molecular FormulaC16H10Cl3N3O
Molecular Weight366.64 g/mol
Exact Mass364.99
IUPAC Name(4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(Nc2cccc(Cl)c2)=N/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl3N3O/c17-9-3-1-4-10(7-9)20-16-21-14(15(23)22-16)8-11-12(18)5-2-6-13(11)19/h1-8H,(H2,20,21,22,23)/b14-8-
InChIKeyDGBIGFAKYXBZSW-ZSOIEALJSA-N
XLogP4.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.59
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-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one (CID 135499618) is (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(Nc2cccc(Cl)c2)=N/C1=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is DGBIGFAKYXBZSW-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10Cl3N3O/c17-9-3-1-4-10(7-9)20-16-21-14(15(23)22-16)8-11-12(18)5-2-6-13(11)19/h1-8H,(H2,20,21,22,23)/b14-8-.
What are the key properties of (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 366.64 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-chloroanilino)-4-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135499618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).