4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole

C16H13F3N2 — CID 82940862

IUPAC4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C16H13F3N2/c1-9-7-10(2)14-13(8-9)20-15(21-14)11-5-3-4-6-12(11)16(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyUFJFJNQURGIJPX-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.87
Rot. Bonds1

About 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole

4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 82940862) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID82940862
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C16H13F3N2/c1-9-7-10(2)14-13(8-9)20-15(21-14)11-5-3-4-6-12(11)16(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyUFJFJNQURGIJPX-UHFFFAOYSA-N
XLogP4.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 82940862) is 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole is Cc1cc(C)c2nc(-c3ccccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is UFJFJNQURGIJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-9-7-10(2)14-13(8-9)20-15(21-14)11-5-3-4-6-12(11)16(17,18)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 290.29 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 82940862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).