2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole

C13H14F3N3 — CID 155941941

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-5-7-19(8-6-9)12-17-10-3-1-2-4-11(10)18-12/h1-4,9H,5-8H2,(H,17,18)
InChIKeyPDHAGPOWJALIKO-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.34
Rot. Bonds1

About 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole

2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole (PubChem CID 155941941) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
PubChem CID155941941
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-5-7-19(8-6-9)12-17-10-3-1-2-4-11(10)18-12/h1-4,9H,5-8H2,(H,17,18)
InChIKeyPDHAGPOWJALIKO-UHFFFAOYSA-N
XLogP3.34
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole (CID 155941941) is 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole is FC(F)(F)C1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
The InChIKey is PDHAGPOWJALIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)9-5-7-19(8-6-9)12-17-10-3-1-2-4-11(10)18-12/h1-4,9H,5-8H2,(H,17,18).
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole has a molecular weight of 269.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 155941941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).