1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole

C15H16F3N3 — CID 53260882

IUPAC1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H16F3N3/c16-15(17,18)14-20-12-3-1-2-4-13(12)21(14)11-7-9-5-6-10(8-11)19-9/h1-4,9-11,19H,5-8H2/t9-,10+,11?
InChIKeyZNSFQRKGPZNWNY-ZACCUICWSA-N
MW295.31 g/mol
LogP3.51
Rot. Bonds1

About 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole

1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole (PubChem CID 53260882) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole
PubChem CID53260882
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H16F3N3/c16-15(17,18)14-20-12-3-1-2-4-13(12)21(14)11-7-9-5-6-10(8-11)19-9/h1-4,9-11,19H,5-8H2/t9-,10+,11?
InChIKeyZNSFQRKGPZNWNY-ZACCUICWSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole (CID 53260882) is 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole?
The InChIKey is ZNSFQRKGPZNWNY-ZACCUICWSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)14-20-12-3-1-2-4-13(12)21(14)11-7-9-5-6-10(8-11)19-9/h1-4,9-11,19H,5-8H2/t9-,10+,11?.
What are the key properties of 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole?
1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole has a molecular weight of 295.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53260882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).