2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole

C14H8F4N2 — CID 14957639

IUPAC2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C14H8F4N2/c15-10-3-1-2-8(6-10)13-19-11-5-4-9(14(16,17)18)7-12(11)20-13/h1-7H,(H,19,20)
InChIKeyAKYUAIWQAFVXRD-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.39
Rot. Bonds1

About 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole

2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 14957639) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID14957639
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C14H8F4N2/c15-10-3-1-2-8(6-10)13-19-11-5-4-9(14(16,17)18)7-12(11)20-13/h1-7H,(H,19,20)
InChIKeyAKYUAIWQAFVXRD-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 14957639) is 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole is Fc1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is AKYUAIWQAFVXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-10-3-1-2-8(6-10)13-19-11-5-4-9(14(16,17)18)7-12(11)20-13/h1-7H,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 280.22 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 14957639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).