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

C13H14F3N3 — CID 70238368

IUPAC2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cccc2[nH]c(C3CCNCC3)nc12
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-2-1-3-10-11(9)19-12(18-10)8-4-6-17-7-5-8/h1-3,8,17H,4-7H2,(H,18,19)
InChIKeyOQAJQBCPNXYFBW-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.05
Rot. Bonds1

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

2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 70238368) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID70238368
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cccc2[nH]c(C3CCNCC3)nc12
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-2-1-3-10-11(9)19-12(18-10)8-4-6-17-7-5-8/h1-3,8,17H,4-7H2,(H,18,19)
InChIKeyOQAJQBCPNXYFBW-UHFFFAOYSA-N
XLogP3.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole (CID 70238368) is 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1cccc2[nH]c(C3CCNCC3)nc12.
What is the InChIKey of 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is OQAJQBCPNXYFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)9-2-1-3-10-11(9)19-12(18-10)8-4-6-17-7-5-8/h1-3,8,17H,4-7H2,(H,18,19).
What are the key properties of 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole?
2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 269.27 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 70238368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).