2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole

C17H13F5N2O2 — CID 71294898

IUPAC2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole
SMILESCCOC(c1ccc(OC(F)(F)F)cc1)c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C17H13F5N2O2/c1-2-25-15(9-3-5-10(6-4-9)26-17(20,21)22)16-23-13-7-11(18)12(19)8-14(13)24-16/h3-8,15H,2H2,1H3,(H,23,24)
InChIKeyUZBZJENQWKQSTF-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.87
Rot. Bonds5

About 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole

2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole (PubChem CID 71294898) has the molecular formula C17H13F5N2O2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole
PubChem CID71294898
Molecular FormulaC17H13F5N2O2
Molecular Weight372.29 g/mol
Exact Mass372.09
IUPAC Name2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole
SMILESCCOC(c1ccc(OC(F)(F)F)cc1)c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C17H13F5N2O2/c1-2-25-15(9-3-5-10(6-4-9)26-17(20,21)22)16-23-13-7-11(18)12(19)8-14(13)24-16/h3-8,15H,2H2,1H3,(H,23,24)
InChIKeyUZBZJENQWKQSTF-UHFFFAOYSA-N
XLogP4.87
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole (CID 71294898) is 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole is CCOC(c1ccc(OC(F)(F)F)cc1)c1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is UZBZJENQWKQSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2/c1-2-25-15(9-3-5-10(6-4-9)26-17(20,21)22)16-23-13-7-11(18)12(19)8-14(13)24-16/h3-8,15H,2H2,1H3,(H,23,24).
What are the key properties of 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole?
2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 372.29 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 71294898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).