1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole

C12H12ClFN2O — CID 75357499

IUPAC1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole
SMILESCc1nccn1CCOc1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClFN2O/c1-9-15-4-5-16(9)6-7-17-12-3-2-10(14)8-11(12)13/h2-5,8H,6-7H2,1H3
InChIKeyKSKFXQYWJMYKPL-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.06
Rot. Bonds4

About 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole

1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole (PubChem CID 75357499) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole
PubChem CID75357499
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole
SMILESCc1nccn1CCOc1ccc(F)cc1Cl
InChIInChI=1S/C12H12ClFN2O/c1-9-15-4-5-16(9)6-7-17-12-3-2-10(14)8-11(12)13/h2-5,8H,6-7H2,1H3
InChIKeyKSKFXQYWJMYKPL-UHFFFAOYSA-N
XLogP3.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole (CID 75357499) is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole is Cc1nccn1CCOc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole?
The InChIKey is KSKFXQYWJMYKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-9-15-4-5-16(9)6-7-17-12-3-2-10(14)8-11(12)13/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole?
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole has a molecular weight of 254.69 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylimidazole is sourced from PubChem (CID 75357499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).