(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

C17H13IN2O — CID 135517615

IUPAC(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccccc3I)C(=O)N2)cc1
InChIInChI=1S/C17H13IN2O/c1-11-6-8-12(9-7-11)16-19-15(17(21)20-16)10-13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyROKWKYSGRHBHNB-GDNBJRDFSA-N
MW388.21 g/mol
LogP3.52
Rot. Bonds2

About (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (PubChem CID 135517615) has the molecular formula C17H13IN2O and a molecular weight of 388.21 g/mol. Its IUPAC name is (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
PubChem CID135517615
Molecular FormulaC17H13IN2O
Molecular Weight388.21 g/mol
Exact Mass388.01
IUPAC Name(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccccc3I)C(=O)N2)cc1
InChIInChI=1S/C17H13IN2O/c1-11-6-8-12(9-7-11)16-19-15(17(21)20-16)10-13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyROKWKYSGRHBHNB-GDNBJRDFSA-N
XLogP3.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (CID 135517615) is (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is Cc1ccc(C2=N/C(=C\c3ccccc3I)C(=O)N2)cc1.
What is the InChIKey of (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The InChIKey is ROKWKYSGRHBHNB-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13IN2O/c1-11-6-8-12(9-7-11)16-19-15(17(21)20-16)10-13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21)/b15-10-.
What are the key properties of (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one has a molecular weight of 388.21 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 135517615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).