5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal

C14H11BrN2O — CID 141430595

IUPAC5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal
SMILESO=CC(=CC=Cc1ccc(Br)cc1)n1ccnc1
InChIInChI=1S/C14H11BrN2O/c15-13-6-4-12(5-7-13)2-1-3-14(10-18)17-9-8-16-11-17/h1-11H
InChIKeyUYIRPAMOFQERDM-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.40
Rot. Bonds4

About 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal

5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal (PubChem CID 141430595) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal
PubChem CID141430595
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal
SMILESO=CC(=CC=Cc1ccc(Br)cc1)n1ccnc1
InChIInChI=1S/C14H11BrN2O/c15-13-6-4-12(5-7-13)2-1-3-14(10-18)17-9-8-16-11-17/h1-11H
InChIKeyUYIRPAMOFQERDM-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 69157874
(2Z,4E)-5-(4-bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one
CID 74763765
(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
(E)-3-(4-aminophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 147404534
(E)-3-(4-chlorophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 15890236
bis(4-bromobenzaldehyde);hydrate
CID 174866505
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
4-bromobenzaldehyde;nitrous acid
CID 175266489
4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal
CID 91226186
(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone
CID 69457335
(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone
CID 110465025

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal?
The IUPAC name of 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal (CID 141430595) is 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal.
What is the SMILES notation for 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal?
The canonical SMILES for 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal is O=CC(=CC=Cc1ccc(Br)cc1)n1ccnc1.
What is the InChIKey of 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal?
The InChIKey is UYIRPAMOFQERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-13-6-4-12(5-7-13)2-1-3-14(10-18)17-9-8-16-11-17/h1-11H.
What are the key properties of 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal?
5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal has a molecular weight of 303.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-imidazol-1-ylpenta-2,4-dienal is sourced from PubChem (CID 141430595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).