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

C18H15BrN2O — CID 136894729

IUPAC(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)N2)cc1C
InChIInChI=1S/C18H15BrN2O/c1-11-7-8-14(9-12(11)2)17-20-16(18(22)21-17)10-13-5-3-4-6-15(13)19/h3-10H,1-2H3,(H,20,21,22)/b16-10-
InChIKeyZPXFPOPITUJMLW-YBEGLDIGSA-N
MW355.24 g/mol
LogP3.98
Rot. Bonds2

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

(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one (PubChem CID 136894729) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
PubChem CID136894729
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)N2)cc1C
InChIInChI=1S/C18H15BrN2O/c1-11-7-8-14(9-12(11)2)17-20-16(18(22)21-17)10-13-5-3-4-6-15(13)19/h3-10H,1-2H3,(H,20,21,22)/b16-10-
InChIKeyZPXFPOPITUJMLW-YBEGLDIGSA-N
XLogP3.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.98
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

(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894727
(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893097
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
CID 136894365
(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517615
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893427
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517616
(4Z)-4-[(2-bromophenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136894741
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895219
(5E)-5-[(2-bromophenyl)methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 2276090

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one (CID 136894729) is (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one is Cc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)N2)cc1C.
What is the InChIKey of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one?
The InChIKey is ZPXFPOPITUJMLW-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-11-7-8-14(9-12(11)2)17-20-16(18(22)21-17)10-13-5-3-4-6-15(13)19/h3-10H,1-2H3,(H,20,21,22)/b16-10-.
What are the key properties of (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one?
(4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one has a molecular weight of 355.24 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-bromophenyl)methylidene]-2-(3,4-dimethylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 136894729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).