2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole

C12H13FN2O — CID 117188384

IUPAC2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
SMILESCc1cnc(COc2cccc(F)c2)n1C
InChIInChI=1S/C12H13FN2O/c1-9-7-14-12(15(9)2)8-16-11-5-3-4-10(13)6-11/h3-7H,8H2,1-2H3
InChIKeyNTXCMLZXSGWVLX-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.45
Rot. Bonds3

About 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole

2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole (PubChem CID 117188384) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
PubChem CID117188384
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
SMILESCc1cnc(COc2cccc(F)c2)n1C
InChIInChI=1S/C12H13FN2O/c1-9-7-14-12(15(9)2)8-16-11-5-3-4-10(13)6-11/h3-7H,8H2,1-2H3
InChIKeyNTXCMLZXSGWVLX-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

Analyze 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
CID 60667995
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazole
CID 21165100
4-fluoro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173305
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole (CID 117188384) is 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole is Cc1cnc(COc2cccc(F)c2)n1C.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole?
The InChIKey is NTXCMLZXSGWVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-7-14-12(15(9)2)8-16-11-5-3-4-10(13)6-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole?
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole 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 2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole is sourced from PubChem (CID 117188384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).