5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole

C12H11F3N2O — CID 10658713

IUPAC5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(COCc2cnc[nH]2)c1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)10-3-1-2-9(4-10)6-18-7-11-5-16-8-17-11/h1-5,8H,6-7H2,(H,16,17)
InChIKeyHRQLVPYQZHRRMV-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.15
Rot. Bonds4

About 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole

5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole (PubChem CID 10658713) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole
PubChem CID10658713
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(COCc2cnc[nH]2)c1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)10-3-1-2-9(4-10)6-18-7-11-5-16-8-17-11/h1-5,8H,6-7H2,(H,16,17)
InChIKeyHRQLVPYQZHRRMV-UHFFFAOYSA-N
XLogP3.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 159037299
CID 159037299
5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
CID 158491627
1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 87305693
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
(3S,5S)-1-(1H-imidazol-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 97155334
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole (CID 10658713) is 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole is FC(F)(F)c1cccc(COCc2cnc[nH]2)c1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole?
The InChIKey is HRQLVPYQZHRRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)10-3-1-2-9(4-10)6-18-7-11-5-16-8-17-11/h1-5,8H,6-7H2,(H,16,17).
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole?
5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole has a molecular weight of 256.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole is sourced from PubChem (CID 10658713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).