1-(3-fluoro-5-methylphenoxy)-4-methylimidazole

C11H11FN2O — CID 71025406

IUPAC1-(3-fluoro-5-methylphenoxy)-4-methylimidazole
SMILESCc1cc(F)cc(On2cnc(C)c2)c1
InChIInChI=1S/C11H11FN2O/c1-8-3-10(12)5-11(4-8)15-14-6-9(2)13-7-14/h3-7H,1-2H3
InChIKeyYBQMZXGKNJRPMZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.48
Rot. Bonds2

About 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole

1-(3-fluoro-5-methylphenoxy)-4-methylimidazole (PubChem CID 71025406) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenoxy)-4-methylimidazole
PubChem CID71025406
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(3-fluoro-5-methylphenoxy)-4-methylimidazole
SMILESCc1cc(F)cc(On2cnc(C)c2)c1
InChIInChI=1S/C11H11FN2O/c1-8-3-10(12)5-11(4-8)15-14-6-9(2)13-7-14/h3-7H,1-2H3
InChIKeyYBQMZXGKNJRPMZ-UHFFFAOYSA-N
XLogP2.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-Fluoro-3-methyl-5-(trifluoromethyl)phenoxy]-4-methylimidazole
CID 71025403
1-[3-Fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole
CID 71025404
3-Fluoro-5-[2-(3-methylimidazol-4-yl)ethyl]phenol
CID 90075621
5-[2-[3-Fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole
CID 90075805
N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine
CID 156533727
(3S)-3-[3-(3-fluorophenoxy)imidazol-4-yl]piperidine
CID 174557341
1-(3-Fluoro-4-propan-2-ylphenoxy)imidazole
CID 176770902
1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole
CID 139262686
5-[(2-Fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376
1-Ethyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
CID 66155326
5-[(4-Fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 81421747
1-Ethyl-5-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81738501

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole?
The IUPAC name of 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole (CID 71025406) is 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole.
What is the SMILES notation for 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole?
The canonical SMILES for 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole is Cc1cc(F)cc(On2cnc(C)c2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole?
The InChIKey is YBQMZXGKNJRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-3-10(12)5-11(4-8)15-14-6-9(2)13-7-14/h3-7H,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole?
1-(3-fluoro-5-methylphenoxy)-4-methylimidazole has a molecular weight of 206.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenoxy)-4-methylimidazole is sourced from PubChem (CID 71025406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).