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1-(4-Bromobenzyl)-1H-imidazole - 98%, high purity , CAS No.72459-46-2

    Grade & Purity:
  • ≥98%
In stock
Item Number
B194768
Grouped product items
SKU Size
Availability
Price Qty
B194768-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$227.90
B194768-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$543.90

Basic Description

Synonyms 1-(4-bromobenzyl)-1H-imidazole | 72459-46-2 | 1-(4-bromobenzyl)imidazole | 1-[(4-bromophenyl)methyl]imidazole | CHEMBL211207 | MFCD06421442 | 1H-Imidazole, 1-[(4-bromophenyl)methyl]- | 1-[(4-bromophenyl)methyl]-1H-imidazole | SCHEMBL707075 | 1-(4Bromobenzyl)-1H-imidazole | D
Specifications & Purity ≥98%
Storage Temp Room temperature
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Halobenzenes
Intermediate Tree Nodes Not available
Direct Parent Bromobenzenes
Alternative Parents N-substituted imidazoles  Aryl bromides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organobromides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Bromobenzene - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors Not available

Associated Targets(Human)

CYP11B2 Tchem Cytochrome P450 11B2, mitochondrial (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP11B1 Tclin Cytochrome P450 11B1, mitochondrial (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP19A1 Tclin Aromatase (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP11B1 Tclin Cytochrome P450 11B1 (1750 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP17A1 Tclin Cytochrome P450 17A1 (3627 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cyp11b2 Cytochrome P450 11B2 (46 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 1-[(4-bromophenyl)methyl]imidazole
INCHI InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChIKey MZJSYLIOMLCYIS-UHFFFAOYSA-N
Smiles C1=CC(=CC=C1CN2C=CN=C2)Br
Isomeric SMILES C1=CC(=CC=C1CN2C=CN=C2)Br
Molecular Weight 237.1
Reaxy-Rn 513902
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=513902&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 237.100 g/mol
XLogP3 2.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 235.995 Da
Monoisotopic Mass 235.995 Da
Topological Polar Surface Area 17.800 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 155.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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