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

C16H21F3N2O — CID 144872552

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane
SMILESCCC.Cc1[nH]c(COCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O.C3H8/c1-9-12(13(14,15)16)18-11(17-9)8-19-7-10-5-3-2-4-6-10;1-3-2/h2-6H,7-8H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyZHGRYZRYGWKIAB-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.87
Rot. Bonds4

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

5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane (PubChem CID 144872552) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane.

Molecular Properties

Compound Name5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane
PubChem CID144872552
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane
SMILESCCC.Cc1[nH]c(COCc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O.C3H8/c1-9-12(13(14,15)16)18-11(17-9)8-19-7-10-5-3-2-4-6-10;1-3-2/h2-6H,7-8H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyZHGRYZRYGWKIAB-UHFFFAOYSA-N
XLogP4.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane?
The IUPAC name of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane (CID 144872552) is 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane.
What is the SMILES notation for 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane?
The canonical SMILES for 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane is CCC.Cc1[nH]c(COCc2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane?
The InChIKey is ZHGRYZRYGWKIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O.C3H8/c1-9-12(13(14,15)16)18-11(17-9)8-19-7-10-5-3-2-4-6-10;1-3-2/h2-6H,7-8H2,1H3,(H,17,18);3H2,1-2H3.
What are the key properties of 5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane?
5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane has a molecular weight of 314.35 g/mol, XLogP of 4.87, 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;propane is sourced from PubChem (CID 144872552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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