Basic information
- Standard SMILES
ClCc1nccn1Cc1ccccc1- InChIKey
VDIVGSUHQVOULM-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2
- Average molar mass
- 206.67 g/mol
- Monoisotopic mass
- 206.06107603
Overview
1-benzyl-2-chloromethylimidazole is an imidazole derivative containing benzyl and chloromethyl substituents at positions 1 and 2, respectively.
Names & identifiers
- Preferred name
- 1-benzyl-2-(chloromethyl)-1H-imidazole
- IUPAC
- 1-benzyl-2-(chloromethyl)imidazole
- English name
- 1-benzyl-2-(chloromethyl)-1H-imidazole(SALTDATA: HCl)
- Molecular formula
- C11H11ClN2
- Molecular weight
- 206.67
Names & synonyms
1-benzyl-2-(chloromethyl)-1H-imidazole58610-70-11-benzyl-2-(chloromethyl)imidazole1-benzyl-2-chloromethylimidazole2-(Chloromethyl)-1-(phenylmethyl)-1H-imidazole1H-imidazole, 2-(chloromethyl)-1-(phenylmethyl)-, hydrochloride2-(chloromethyl)-1-benzylimidazoleN-benzyl-2-chloromethylimidazoleSCHEMBL955143CHEBI:53432VDIVGSUHQVOULM-UHFFFAOYSA-NDTXSID301246856
Show more names
1-benzyl-2-imidazolylmethyl chloride1H-Imidazole, 2-(chloromethyl)-1-(phenylmethyl)-1-benzyl-2-(chloromethyl)-1H-imidazole(SALTDATA: HCl)
ALBB-029789N-benzyl-2-(chloromethyl)-imidazoleSBB014795STK6927171-benzyl-2-chloromethyl-1H-imidazoleAKOS002668367(1-benzylimidazol-2-yl)-methyl chloride1-benzyl-1H-imidazol-2-ylmethyl chloride
Database identifiers
- CAS
58610-70-1- PubChem CID
- 736792
- DTXSID
DTXSID301246856- ChEBI
CHEBI:53432- Nikkaji
- J239.656D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 181 · 181-182 °C
- Boiling point
- 333.4 · 333.4±25.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 6 · 6.00±0.31(Predicted)
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Additional notes
DefinitionChEBI: An imidazole derivative containing benzyl and chloromethyl substituents at positions 1 and 2, respectively.
Related reactions
11 records
Linked notes
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