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

C14H7F5N2O — CID 175087809

IUPAC4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFc1cc2[nH]cnc2c(F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F5N2O/c15-8-5-9-13(21-6-20-9)12(16)11(8)7-3-1-2-4-10(7)22-14(17,18)19/h1-6H,(H,20,21)
InChIKeyHJCVABHHSMGHPF-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.41
Rot. Bonds2

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

4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole (PubChem CID 175087809) has the molecular formula C14H7F5N2O and a molecular weight of 314.21 g/mol. Its IUPAC name is 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
PubChem CID175087809
Molecular FormulaC14H7F5N2O
Molecular Weight314.21 g/mol
Exact Mass314.05
IUPAC Name4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFc1cc2[nH]cnc2c(F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F5N2O/c15-8-5-9-13(21-6-20-9)12(16)11(8)7-3-1-2-4-10(7)22-14(17,18)19/h1-6H,(H,20,21)
InChIKeyHJCVABHHSMGHPF-UHFFFAOYSA-N
XLogP4.41
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole (CID 175087809) is 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole is Fc1cc2[nH]cnc2c(F)c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The InChIKey is HJCVABHHSMGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O/c15-8-5-9-13(21-6-20-9)12(16)11(8)7-3-1-2-4-10(7)22-14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole?
4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole has a molecular weight of 314.21 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 175087809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).