1-(p-bromobenzyl)-5-(3-chloropropyl)-1H-imidazole

HCID 14801725

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: ClCCCc1cncn1Cc1ccc(Br)cc1
InChIKey: UMPJKSKKFXLLDO-UHFFFAOYSA-N
Molecular formula: C13H14BrClN2
Average molar mass: 313.62 g/mol

Names & identifiers

Preferred name: 1-(p-bromobenzyl)-5-(3-chloropropyl)-1H-imidazole
IUPAC: 1-[(4-bromophenyl)methyl]-5-(3-chloropropyl)imidazole

Names & synonyms

SCHEMBL9263763UMPJKSKKFXLLDO-UHFFFAOYSA-N1-p-Bromobenzyl-5-(3-chloropropyl)-1H-imidazole5-(3-chloropropyl)-1-p-bromobenzyl-1H-imidazole1-(p-bromobenzyl)-5-(3-chloropropyl)-1H-imidazole

Database identifiers

PubChem CID: 14801725

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 219

Related reactions

9 records

New reaction record

HRID 22549As reactantuspto-grants-1995_06

HRID 135507As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 477987As reactantuspto-grants-1989_12

HRID 568541As reactantuspto-grants-1988_03

HRID 1555438As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1568541As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2290572As productuspto-grants-1986_10

HRID 2290573As reactantuspto-grants-1986_10

Compound notes

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