(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one

C18H13BrN2O — CID 135443014

IUPAC(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Br)cc2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13BrN2O/c19-15-11-9-14(10-12-15)17-20-16(18(22)21-17)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,21,22)/b7-4+,16-8-
InChIKeyTULLRXKQXYUKOZ-QSJINSDNSA-N
MW353.22 g/mol
LogP3.92
Rot. Bonds3

About (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one

(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one (PubChem CID 135443014) has the molecular formula C18H13BrN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
PubChem CID135443014
Molecular FormulaC18H13BrN2O
Molecular Weight353.22 g/mol
Exact Mass352.02
IUPAC Name(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Br)cc2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13BrN2O/c19-15-11-9-14(10-12-15)17-20-16(18(22)21-17)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,21,22)/b7-4+,16-8-
InChIKeyTULLRXKQXYUKOZ-QSJINSDNSA-N
XLogP3.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one (CID 135443014) is (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(Br)cc2)=N/C1=C\C=C\c1ccccc1.
What is the InChIKey of (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
The InChIKey is TULLRXKQXYUKOZ-QSJINSDNSA-N. The full InChI is InChI=1S/C18H13BrN2O/c19-15-11-9-14(10-12-15)17-20-16(18(22)21-17)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,21,22)/b7-4+,16-8-.
What are the key properties of (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
(4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one has a molecular weight of 353.22 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135443014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).