1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole

C18H16ClFN2O2 — CID 138471302

IUPAC1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole
SMILESCc1nccn1-c1cccc(OCCOc2ccc(Cl)cc2F)c1
InChIInChI=1S/C18H16ClFN2O2/c1-13-21-7-8-22(13)15-3-2-4-16(12-15)23-9-10-24-18-6-5-14(19)11-17(18)20/h2-8,11-12H,9-10H2,1H3
InChIKeyJYNKCBPIJLHKNS-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.43
Rot. Bonds6

About 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole

1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole (PubChem CID 138471302) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole
PubChem CID138471302
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole
SMILESCc1nccn1-c1cccc(OCCOc2ccc(Cl)cc2F)c1
InChIInChI=1S/C18H16ClFN2O2/c1-13-21-7-8-22(13)15-3-2-4-16(12-15)23-9-10-24-18-6-5-14(19)11-17(18)20/h2-8,11-12H,9-10H2,1H3
InChIKeyJYNKCBPIJLHKNS-UHFFFAOYSA-N
XLogP4.43
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole?
The IUPAC name of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole (CID 138471302) is 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole?
The canonical SMILES for 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole is Cc1nccn1-c1cccc(OCCOc2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole?
The InChIKey is JYNKCBPIJLHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-13-21-7-8-22(13)15-3-2-4-16(12-15)23-9-10-24-18-6-5-14(19)11-17(18)20/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole?
1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole has a molecular weight of 346.79 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-chloro-2-fluorophenoxy)ethoxy]phenyl]-2-methylimidazole is sourced from PubChem (CID 138471302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).