2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

C14H14F3N3 — CID 81456409

IUPAC2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(C3CC4CCC3N4)[nH]c2c1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)7-1-3-11-12(5-7)20-13(19-11)9-6-8-2-4-10(9)18-8/h1,3,5,8-10,18H,2,4,6H2,(H,19,20)
InChIKeyYGRHBUSFVQYMJC-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.19
Rot. Bonds1

About 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81456409) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81456409
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(C3CC4CCC3N4)[nH]c2c1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)7-1-3-11-12(5-7)20-13(19-11)9-6-8-2-4-10(9)18-8/h1,3,5,8-10,18H,2,4,6H2,(H,19,20)
InChIKeyYGRHBUSFVQYMJC-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (CID 81456409) is 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(C3CC4CCC3N4)[nH]c2c1.
What is the InChIKey of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is YGRHBUSFVQYMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)7-1-3-11-12(5-7)20-13(19-11)9-6-8-2-4-10(9)18-8/h1,3,5,8-10,18H,2,4,6H2,(H,19,20).
What are the key properties of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 281.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81456409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).