2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole

C7H9F3N2O — CID 143986514

IUPAC2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
SMILESCOC(c1cnc(C)[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4-11-3-5(12-4)6(13-2)7(8,9)10/h3,6H,1-2H3,(H,11,12)
InChIKeyWUUDQQHTOPZDHH-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.97
Rot. Bonds2

About 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole

2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole (PubChem CID 143986514) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
PubChem CID143986514
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
SMILESCOC(c1cnc(C)[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4-11-3-5(12-4)6(13-2)7(8,9)10/h3,6H,1-2H3,(H,11,12)
InChIKeyWUUDQQHTOPZDHH-UHFFFAOYSA-N
XLogP1.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,5R)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10773349
[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10820929
4-(methoxymethyl)-1H-imidazole
CID 21401481
[(2S,5R)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10702196
[(2R,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10820930
1-(1H-imidazol-5-yl)ethanol
CID 12344797
1-Hydroxyethyl-2-methylimidazole
CID 13606244
Ethoxymethyl-2-methylimidazole
CID 117191588
Imidazole, 4-[1,1-dimethoxy-2-bromo-2,2-fluoroethyl]-
CID 588042
Imidazole, 4-[1,1-dimethoxy-2,2,2-trifluoroethyl]-
CID 588044
Imidazole, 4-[1,1-dimethoxy-2,2,3,3,3-pentafluoropropyl]-
CID 588045
1H-Imidazole-5-methanol, alpha-(trifluoromethyl)-
CID 13542025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole (CID 143986514) is 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole is COC(c1cnc(C)[nH]1)C(F)(F)F.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
The InChIKey is WUUDQQHTOPZDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-11-3-5(12-4)6(13-2)7(8,9)10/h3,6H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole has a molecular weight of 194.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole is sourced from PubChem (CID 143986514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).