(2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one

C20H13BrCl2N2O — CID 74763762

IUPAC(2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one
SMILESO=C(/C(=C/C=C/c1ccc(Br)cc1)n1cnc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C20H13BrCl2N2O/c21-16-11-9-14(10-12-16)5-4-8-17(25-13-24-19(22)20(25)23)18(26)15-6-2-1-3-7-15/h1-13H/b5-4+,17-8-
InChIKeyRHXZQSGZLNSWEW-ZPCHUTRJSA-N
MW448.15 g/mol
LogP6.39
Rot. Bonds5

About (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one

(2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one (PubChem CID 74763762) has the molecular formula C20H13BrCl2N2O and a molecular weight of 448.15 g/mol. Its IUPAC name is (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one
PubChem CID74763762
Molecular FormulaC20H13BrCl2N2O
Molecular Weight448.15 g/mol
Exact Mass445.96
IUPAC Name(2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one
SMILESO=C(/C(=C/C=C/c1ccc(Br)cc1)n1cnc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C20H13BrCl2N2O/c21-16-11-9-14(10-12-16)5-4-8-17(25-13-24-19(22)20(25)23)18(26)15-6-2-1-3-7-15/h1-13H/b5-4+,17-8-
InChIKeyRHXZQSGZLNSWEW-ZPCHUTRJSA-N
XLogP6.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.15
LogP ≤ 56.39
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-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
CID 74763765
5-(4-bromophenyl)penta-2,4-dienoic acid
CID 582037
N-[3-(4-bromophenyl)prop-2-enylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3802747
N-[(E)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 25250896
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
CID 6108389
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
4-bromobenzaldehyde;(E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one;1-phenylethanone
CID 162251763
(2Z,4E)-2-amino-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 46223650
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid
CID 126800632
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one (CID 74763762) is (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one is O=C(/C(=C/C=C/c1ccc(Br)cc1)n1cnc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one?
The InChIKey is RHXZQSGZLNSWEW-ZPCHUTRJSA-N. The full InChI is InChI=1S/C20H13BrCl2N2O/c21-16-11-9-14(10-12-16)5-4-8-17(25-13-24-19(22)20(25)23)18(26)15-6-2-1-3-7-15/h1-13H/b5-4+,17-8-.
What are the key properties of (2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one?
(2Z,4E)-5-(4-bromophenyl)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one has a molecular weight of 448.15 g/mol, XLogP of 6.39, 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)-2-(4,5-dichloroimidazol-1-yl)-1-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 74763762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).