5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole

C12H13FN2O — CID 103990878

IUPAC5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
SMILESCc1cccc(OCc2cncn2C)c1F
InChIInChI=1S/C12H13FN2O/c1-9-4-3-5-11(12(9)13)16-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3
InChIKeyLNLOQXRRISCKGE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.45
Rot. Bonds3

About 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole

5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole (PubChem CID 103990878) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
PubChem CID103990878
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
SMILESCc1cccc(OCc2cncn2C)c1F
InChIInChI=1S/C12H13FN2O/c1-9-4-3-5-11(12(9)13)16-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3
InChIKeyLNLOQXRRISCKGE-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921804
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonyl chloride
CID 82917401
1-[3-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608849

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole (CID 103990878) is 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole is Cc1cccc(OCc2cncn2C)c1F.
What is the InChIKey of 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole?
The InChIKey is LNLOQXRRISCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-4-3-5-11(12(9)13)16-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole?
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole has a molecular weight of 220.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 103990878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).