3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one

C15H18F3N3O — CID 117206950

IUPAC3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2n1CCN1CCCCC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)11-5-4-6-12-13(11)19-14(22)21(12)10-9-20-7-2-1-3-8-20/h4-6H,1-3,7-10H2,(H,19,22)
InChIKeyMAEXKPICRRUKLD-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.83
Rot. Bonds3

About 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one

3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 117206950) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID117206950
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2n1CCN1CCCCC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)11-5-4-6-12-13(11)19-14(22)21(12)10-9-20-7-2-1-3-8-20/h4-6H,1-3,7-10H2,(H,19,22)
InChIKeyMAEXKPICRRUKLD-UHFFFAOYSA-N
XLogP2.83
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one (CID 117206950) is 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2c(C(F)(F)F)cccc2n1CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is MAEXKPICRRUKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)11-5-4-6-12-13(11)19-14(22)21(12)10-9-20-7-2-1-3-8-20/h4-6H,1-3,7-10H2,(H,19,22).
What are the key properties of 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 313.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).