2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole

C16H12F4N2O2 — CID 142742969

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(F)c(C(F)(F)F)c3)[nH]c2cc1OC
InChIInChI=1S/C16H12F4N2O2/c1-23-13-6-11-12(7-14(13)24-2)22-15(21-11)8-3-4-10(17)9(5-8)16(18,19)20/h3-7H,1-2H3,(H,21,22)
InChIKeyXOGFBOWJSFHPST-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.41
Rot. Bonds3

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole

2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole (PubChem CID 142742969) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
PubChem CID142742969
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(F)c(C(F)(F)F)c3)[nH]c2cc1OC
InChIInChI=1S/C16H12F4N2O2/c1-23-13-6-11-12(7-14(13)24-2)22-15(21-11)8-3-4-10(17)9(5-8)16(18,19)20/h3-7H,1-2H3,(H,21,22)
InChIKeyXOGFBOWJSFHPST-UHFFFAOYSA-N
XLogP4.41
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole (CID 142742969) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(-c3ccc(F)c(C(F)(F)F)c3)[nH]c2cc1OC.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is XOGFBOWJSFHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c1-23-13-6-11-12(7-14(13)24-2)22-15(21-11)8-3-4-10(17)9(5-8)16(18,19)20/h3-7H,1-2H3,(H,21,22).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 340.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 142742969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).