5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole

C11H10ClFN2O — CID 60667995

IUPAC5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1c(Cl)cnc1COc1ccc(F)cc1
InChIInChI=1S/C11H10ClFN2O/c1-15-10(12)6-14-11(15)7-16-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3
InChIKeyFZLWAZOQRMSMJP-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole

5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole (PubChem CID 60667995) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
PubChem CID60667995
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1c(Cl)cnc1COc1ccc(F)cc1
InChIInChI=1S/C11H10ClFN2O/c1-15-10(12)6-14-11(15)7-16-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3
InChIKeyFZLWAZOQRMSMJP-UHFFFAOYSA-N
XLogP2.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole (CID 60667995) is 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole is Cn1c(Cl)cnc1COc1ccc(F)cc1.
What is the InChIKey of 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The InChIKey is FZLWAZOQRMSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-10(12)6-14-11(15)7-16-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole has a molecular weight of 240.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 60667995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).