5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole

C16H15ClN2 — CID 18670905

IUPAC5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
SMILESClCc1cncn1CCc1ccc2ccccc2c1
InChIInChI=1S/C16H15ClN2/c17-10-16-11-18-12-19(16)8-7-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,11-12H,7-8,10H2
InChIKeyJYKJXVKAFKOFGZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.02
Rot. Bonds4

About 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole

5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole (PubChem CID 18670905) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
PubChem CID18670905
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
SMILESClCc1cncn1CCc1ccc2ccccc2c1
InChIInChI=1S/C16H15ClN2/c17-10-16-11-18-12-19(16)8-7-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,11-12H,7-8,10H2
InChIKeyJYKJXVKAFKOFGZ-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
CID 66151874
3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
CID 66152277
5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride
CID 18410175
2-naphthalen-2-ylethyl 2-[5-(3-hydroxypropyl)imidazol-1-yl]acetate
CID 54034409
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
CID 123381713
[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
CID 155103964
4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
CID 114704497
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
triethyl(2-naphthalen-2-ylethyl)silane
CID 140900130
5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine
CID 66149795
1-(4-methylpiperazin-1-yl)-6-naphthalen-1-yl-3-[[3-(2-naphthalen-2-ylethyl)imidazol-4-yl]methyl]-2-(oxomethylidene)cyclohex-4-ene-1,3-dicarboxylic acid
CID 174393478
CID 57459119
CID 57459119

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole (CID 18670905) is 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole is ClCc1cncn1CCc1ccc2ccccc2c1.
What is the InChIKey of 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole?
The InChIKey is JYKJXVKAFKOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c17-10-16-11-18-12-19(16)8-7-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,11-12H,7-8,10H2.
What are the key properties of 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole?
5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole has a molecular weight of 270.76 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole is sourced from PubChem (CID 18670905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).