2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole

C12H11F3N2O — CID 145101520

IUPAC2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ncc(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-8-7-16-11(18-2)17(8)10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3
InChIKeyNJTOXKHFFQPNJY-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.21
Rot. Bonds2

About 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole

2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole (PubChem CID 145101520) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
PubChem CID145101520
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ncc(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-8-7-16-11(18-2)17(8)10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3
InChIKeyNJTOXKHFFQPNJY-UHFFFAOYSA-N
XLogP3.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 51362120
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 102201293
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683
4,5-bis(sulfanyl)-1,3-bis[3-(trifluoromethyl)phenyl]imidazole-2-thione
CID 169074232
1-(3-methylphenyl)-4,5-bis(sulfanyl)-3-[3-(trifluoromethyl)phenyl]imidazole-2-thione
CID 158479987
3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 63384058
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 141088850
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 3617765

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole (CID 145101520) is 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole is COc1ncc(C)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
The InChIKey is NJTOXKHFFQPNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-7-16-11(18-2)17(8)10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3.
What are the key properties of 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole has a molecular weight of 256.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 145101520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).