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

C16H10Br2N2O — CID 135500373

IUPAC2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Br)cc2)=NC1=Cc1ccc(Br)cc1
InChIInChI=1S/C16H10Br2N2O/c17-12-5-1-10(2-6-12)9-14-16(21)20-15(19-14)11-3-7-13(18)8-4-11/h1-9H,(H,19,20,21)
InChIKeyJCYYTKNHNXNHRD-UHFFFAOYSA-N
MW406.08 g/mol
LogP4.13
Rot. Bonds2

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

2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135500373) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
PubChem CID135500373
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Br)cc2)=NC1=Cc1ccc(Br)cc1
InChIInChI=1S/C16H10Br2N2O/c17-12-5-1-10(2-6-12)9-14-16(21)20-15(19-14)11-3-7-13(18)8-4-11/h1-9H,(H,19,20,21)
InChIKeyJCYYTKNHNXNHRD-UHFFFAOYSA-N
XLogP4.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.08
LogP ≤ 54.13
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

2-(4-bromophenyl)-4-[[4-(diethylamino)phenyl]methylidene]-1H-imidazol-5-one
CID 135504837
(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1H-imidazol-5-one
CID 135699340
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517616
(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
CID 135443014
(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
(4E)-4-[(3-bromophenyl)methylidene]-2-(3,4-difluorophenyl)-1H-imidazol-5-one
CID 136894651
(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894654
(4E)-2-(4-tert-butylphenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one
CID 136894107
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
(4E)-4-[(4-tert-butylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136894254

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one (CID 135500373) is 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(Br)cc2)=NC1=Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is JCYYTKNHNXNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-12-5-1-10(2-6-12)9-14-16(21)20-15(19-14)11-3-7-13(18)8-4-11/h1-9H,(H,19,20,21).
What are the key properties of 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one?
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 406.08 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135500373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).