1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole

C13H13F3N2O — CID 117188379

IUPAC1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
SMILESCc1cnc(COc2cccc(C(F)(F)F)c2)n1C
InChIInChI=1S/C13H13F3N2O/c1-9-7-17-12(18(9)2)8-19-11-5-3-4-10(6-11)13(14,15)16/h3-7H,8H2,1-2H3
InChIKeyTXMSNVXUPIPPJR-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.33
Rot. Bonds3

About 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole

1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole (PubChem CID 117188379) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
PubChem CID117188379
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
SMILESCc1cnc(COc2cccc(C(F)(F)F)c2)n1C
InChIInChI=1S/C13H13F3N2O/c1-9-7-17-12(18(9)2)8-19-11-5-3-4-10(6-11)13(14,15)16/h3-7H,8H2,1-2H3
InChIKeyTXMSNVXUPIPPJR-UHFFFAOYSA-N
XLogP3.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine
CID 138481352
4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117187667
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 138481351
N-(3,4-dimethylphenyl)-2-[[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21164310
3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
CID 21164323
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
4-ethyl-3-methylsulfonyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
CID 1482831
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The IUPAC name of 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole (CID 117188379) is 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole.
What is the SMILES notation for 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The canonical SMILES for 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole is Cc1cnc(COc2cccc(C(F)(F)F)c2)n1C.
What is the InChIKey of 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The InChIKey is TXMSNVXUPIPPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9-7-17-12(18(9)2)8-19-11-5-3-4-10(6-11)13(14,15)16/h3-7H,8H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole has a molecular weight of 270.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole is sourced from PubChem (CID 117188379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).