5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride

C12H13Cl2FN2 — CID 18410175

IUPAC5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride
SMILESCl.Fc1ccc(CCn2cncc2CCl)cc1
InChIInChI=1S/C12H12ClFN2.ClH/c13-7-12-8-15-9-16(12)6-5-10-1-3-11(14)4-2-10;/h1-4,8-9H,5-7H2;1H
InChIKeyBTEUKGWSRUWEHZ-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.43
Rot. Bonds4

About 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride

5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride (PubChem CID 18410175) has the molecular formula C12H13Cl2FN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride
PubChem CID18410175
Molecular FormulaC12H13Cl2FN2
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride
SMILESCl.Fc1ccc(CCn2cncc2CCl)cc1
InChIInChI=1S/C12H12ClFN2.ClH/c13-7-12-8-15-9-16(12)6-5-10-1-3-11(14)4-2-10;/h1-4,8-9H,5-7H2;1H
InChIKeyBTEUKGWSRUWEHZ-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.43
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

1-Methyl-5-phenyl-1H-imidazole
CID 3746343
1-(3-(4-fluorophenyl)propyl)-1H-imidazole
CID 10081625
1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole
CID 45103808
1-methyl-4-phenyl-1H-imidazole
CID 2748782
1-Phenethylimidazole
CID 10219621
1-Benzyl-5-methylimidazole
CID 304325
5,6-Dihydro-3-methyl-8-phenylimidazo[1,5-a]pyridine
CID 13764013
4-Benzyl-1-methylimidazol-2-amine
CID 10607626
4-(Chloromethyl)-1-trityl-1H-imidazole
CID 2763176
1-benzyl-2-(chloromethyl)-1H-imidazole hydrochloride
CID 2779243
1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride
CID 10131027
1-Benzyl-5-(chloromethyl)-1H-imidazole
CID 10131028

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride (CID 18410175) is 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride is Cl.Fc1ccc(CCn2cncc2CCl)cc1.
What is the InChIKey of 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride?
The InChIKey is BTEUKGWSRUWEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2.ClH/c13-7-12-8-15-9-16(12)6-5-10-1-3-11(14)4-2-10;/h1-4,8-9H,5-7H2;1H.
What are the key properties of 5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride?
5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride has a molecular weight of 275.15 g/mol, XLogP of 3.43, 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-(4-fluorophenyl)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 18410175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).