3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one

C15H18F3N3O — CID 117206387

IUPAC3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCCN1CCCCC1n1c(=O)[nH]c2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H18F3N3O/c1-2-20-9-4-3-8-12(20)21-11-7-5-6-10(15(16,17)18)13(11)19-14(21)22/h5-7,12H,2-4,8-9H2,1H3,(H,19,22)
InChIKeyVRAJGALTQSEMFR-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.35
Rot. Bonds2

About 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one

3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 117206387) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID117206387
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCCN1CCCCC1n1c(=O)[nH]c2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H18F3N3O/c1-2-20-9-4-3-8-12(20)21-11-7-5-6-10(15(16,17)18)13(11)19-14(21)22/h5-7,12H,2-4,8-9H2,1H3,(H,19,22)
InChIKeyVRAJGALTQSEMFR-UHFFFAOYSA-N
XLogP3.35
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206368
3-(thiolan-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206333
3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262016
5-chloro-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117207957
3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206950
3-(thiolan-2-ylmethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206434
3-propyl-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206752
7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206376
3-(oxolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261757
3-(thiolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261758
3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206090
7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one
CID 117206373

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one (CID 117206387) is 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one is CCN1CCCCC1n1c(=O)[nH]c2c(C(F)(F)F)cccc21.
What is the InChIKey of 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is VRAJGALTQSEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-2-20-9-4-3-8-12(20)21-11-7-5-6-10(15(16,17)18)13(11)19-14(21)22/h5-7,12H,2-4,8-9H2,1H3,(H,19,22).
What are the key properties of 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 313.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).