2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole

C11H11F3N2O — CID 81455926

IUPAC2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCCOCc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H11F3N2O/c1-2-17-6-10-15-8-4-3-7(11(12,13)14)5-9(8)16-10/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyMUILLUQYPGGGDM-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.12
Rot. Bonds3

About 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81455926) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81455926
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESCCOCc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H11F3N2O/c1-2-17-6-10-15-8-4-3-7(11(12,13)14)5-9(8)16-10/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyMUILLUQYPGGGDM-UHFFFAOYSA-N
XLogP3.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81455926) is 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole is CCOCc1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is MUILLUQYPGGGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-2-17-6-10-15-8-4-3-7(11(12,13)14)5-9(8)16-10/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 244.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81455926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).