(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one

C20H14BrFN2O — CID 74763765

IUPAC(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C(=C/C=C/c1ccc(Br)cc1)n1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C20H14BrFN2O/c21-17-8-4-15(5-9-17)2-1-3-19(24-13-12-23-14-24)20(25)16-6-10-18(22)11-7-16/h1-14H/b2-1+,19-3-
InChIKeyGVWLPDGWTHIZEO-VHFKVBICSA-N
MW397.25 g/mol
LogP5.22
Rot. Bonds5

About (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one

(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one (PubChem CID 74763765) has the molecular formula C20H14BrFN2O and a molecular weight of 397.25 g/mol. Its IUPAC name is (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
PubChem CID74763765
Molecular FormulaC20H14BrFN2O
Molecular Weight397.25 g/mol
Exact Mass396.03
IUPAC Name(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C(=C/C=C/c1ccc(Br)cc1)n1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C20H14BrFN2O/c21-17-8-4-15(5-9-17)2-1-3-19(24-13-12-23-14-24)20(25)16-6-10-18(22)11-7-16/h1-14H/b2-1+,19-3-
InChIKeyGVWLPDGWTHIZEO-VHFKVBICSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.25
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-5-(4-bromophenyl)-1-(4-chlorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
CID 74762691
(2Z,4E)-5-(4-bromophenyl)-1-(4-fluoro-2-nitrophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
CID 74762770
5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal
CID 141430595
3-(4-bromophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 69157874
(2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one
CID 74763762
(E)-1-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-2-imidazol-1-ylprop-2-en-1-one
CID 10362254
(4-ethenylphenyl)-imidazol-1-ylmethanone
CID 140908417
(E)-1-(4-fluorophenyl)-4-(4-imidazol-1-ylphenyl)but-2-ene-1,4-dione
CID 125485189
(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone
CID 69457335
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
CID 7315708
(E)-3-(4-aminophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 147404534

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one (CID 74763765) is (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one is O=C(/C(=C/C=C/c1ccc(Br)cc1)n1ccnc1)c1ccc(F)cc1.
What is the InChIKey of (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one?
The InChIKey is GVWLPDGWTHIZEO-VHFKVBICSA-N. The full InChI is InChI=1S/C20H14BrFN2O/c21-17-8-4-15(5-9-17)2-1-3-19(24-13-12-23-14-24)20(25)16-6-10-18(22)11-7-16/h1-14H/b2-1+,19-3-.
What are the key properties of (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one?
(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one has a molecular weight of 397.25 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 74763765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).