2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole

C12H11F3N2O2 — CID 22759806

IUPAC2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESCOCOc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C12H11F3N2O2/c1-18-7-19-9-4-2-3-8(5-9)11-16-6-10(17-11)12(13,14)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyRJGDGMXMWYXZBM-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.08
Rot. Bonds4

About 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole

2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 22759806) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID22759806
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESCOCOc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C12H11F3N2O2/c1-18-7-19-9-4-2-3-8(5-9)11-16-6-10(17-11)12(13,14)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyRJGDGMXMWYXZBM-UHFFFAOYSA-N
XLogP3.08
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole (CID 22759806) is 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole is COCOc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1.
What is the InChIKey of 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is RJGDGMXMWYXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-18-7-19-9-4-2-3-8(5-9)11-16-6-10(17-11)12(13,14)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 272.23 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 22759806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).