(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one

C17H13BrN2O — CID 135517616

IUPAC(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)N2)cc1
InChIInChI=1S/C17H13BrN2O/c1-11-5-7-13(8-6-11)16-19-15(17(21)20-16)10-12-3-2-4-14(18)9-12/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyYGWKFRSRCGAVTN-GDNBJRDFSA-N
MW341.21 g/mol
LogP3.68
Rot. Bonds2

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

(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (PubChem CID 135517616) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
PubChem CID135517616
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)N2)cc1
InChIInChI=1S/C17H13BrN2O/c1-11-5-7-13(8-6-11)16-19-15(17(21)20-16)10-12-3-2-4-14(18)9-12/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyYGWKFRSRCGAVTN-GDNBJRDFSA-N
XLogP3.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(3-bromophenyl)methylidene]-2-(3,4-difluorophenyl)-1H-imidazol-5-one
CID 136894651
(4E)-4-[(3-bromophenyl)methylidene]-2-(3-fluorophenyl)-1H-imidazol-5-one
CID 136894615
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517615
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
(4E)-4-[(3-bromophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136894648
(4E)-4-[(3-bromophenyl)methylidene]-2-cyclohexyl-1H-imidazol-5-one
CID 136894603
4-[(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 171147744
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
2-(4-bromophenyl)-4-[[4-(diethylamino)phenyl]methylidene]-1H-imidazol-5-one
CID 135504837

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one (CID 135517616) is (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is Cc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)N2)cc1.
What is the InChIKey of (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
The InChIKey is YGWKFRSRCGAVTN-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-5-7-13(8-6-11)16-19-15(17(21)20-16)10-12-3-2-4-14(18)9-12/h2-10H,1H3,(H,19,20,21)/b15-10-.
What are the key properties of (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one?
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one has a molecular weight of 341.21 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 135517616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).