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

C17H13BrN2O2 — CID 136894727

IUPAC(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3Br)C(=O)N2)c1
InChIInChI=1S/C17H13BrN2O2/c1-22-13-7-4-6-12(9-13)16-19-15(17(21)20-16)10-11-5-2-3-8-14(11)18/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyITHJMLAIJCYEQC-GDNBJRDFSA-N
MW357.21 g/mol
LogP3.38
Rot. Bonds3

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

(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one (PubChem CID 136894727) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
PubChem CID136894727
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3Br)C(=O)N2)c1
InChIInChI=1S/C17H13BrN2O2/c1-22-13-7-4-6-12(9-13)16-19-15(17(21)20-16)10-11-5-2-3-8-14(11)18/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyITHJMLAIJCYEQC-GDNBJRDFSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
CID 136894729
(4E)-4-[(2-methoxy-5-methylphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895424
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893427
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894363
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894842
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893798
(4Z)-2-[2-(3-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893445

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one (CID 136894727) is (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one is COc1cccc(C2=N/C(=C\c3ccccc3Br)C(=O)N2)c1.
What is the InChIKey of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one?
The InChIKey is ITHJMLAIJCYEQC-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-22-13-7-4-6-12(9-13)16-19-15(17(21)20-16)10-11-5-2-3-8-14(11)18/h2-10H,1H3,(H,19,20,21)/b15-10-.
What are the key properties of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one?
(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one has a molecular weight of 357.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 136894727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).