5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole

C13H13F3N2O — CID 123206710

IUPAC5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(COCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-9-12(13(14,15)16)18-11(17-9)8-19-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyFLSOYLXMPGQNHZ-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.45
Rot. Bonds4

About 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole

5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole (PubChem CID 123206710) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole
PubChem CID123206710
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(COCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-9-12(13(14,15)16)18-11(17-9)8-19-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyFLSOYLXMPGQNHZ-UHFFFAOYSA-N
XLogP3.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
CID 105438499
ethane;phenylmethoxymethylbenzene
CID 90943549
methyl (2E)-2-methyl-4-[2-(phenylmethoxymethyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]penta-2,4-dienoate
CID 144872672
4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one
CID 137273215
CID 66734377
CID 66734377
2-(phenylmethoxymethyl)-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 139986221
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
5-methyl-4-phenyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890465
4-methylsulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole;(4-methylsulfanyl-5-propan-2-yl-1H-imidazol-2-yl)methanol
CID 90843307
5-methyl-6-phenyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106482319
3-methyl-5-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131904787

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole (CID 123206710) is 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole is Cc1[nH]c(COCc2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is FLSOYLXMPGQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9-12(13(14,15)16)18-11(17-9)8-19-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole?
5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 270.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 123206710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).