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

C11H11FN2O — CID 60773600

IUPAC2-[(4-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1ccnc1COc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)8-15-10-4-2-9(12)3-5-10/h2-7H,8H2,1H3
InChIKeyIPPZQGWIQBKWDP-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.14
Rot. Bonds3

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

2-[(4-fluorophenoxy)methyl]-1-methylimidazole (PubChem CID 60773600) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-1-methylimidazole
PubChem CID60773600
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-[(4-fluorophenoxy)methyl]-1-methylimidazole
SMILESCn1ccnc1COc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)8-15-10-4-2-9(12)3-5-10/h2-7H,8H2,1H3
InChIKeyIPPZQGWIQBKWDP-UHFFFAOYSA-N
XLogP2.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561
1-[2-(2-Chloro-phenoxy)-ethyl]-2-methyl-1H-imidazole
CID 1111665
4,5-Dichloro-2-methyl-1-(2-phenoxyethyl)imidazole
CID 1872879
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-1-methylimidazole (CID 60773600) is 2-[(4-fluorophenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-1-methylimidazole is Cn1ccnc1COc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
The InChIKey is IPPZQGWIQBKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)8-15-10-4-2-9(12)3-5-10/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-1-methylimidazole?
2-[(4-fluorophenoxy)methyl]-1-methylimidazole has a molecular weight of 206.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 60773600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).