3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

C18H22F3N3O — CID 58885014

IUPAC3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)N1CCC(n2cc(-c3cccc(C(F)(F)F)c3)[nH]c2=O)CC1
InChIInChI=1S/C18H22F3N3O/c1-12(2)23-8-6-15(7-9-23)24-11-16(22-17(24)25)13-4-3-5-14(10-13)18(19,20)21/h3-5,10-12,15H,6-9H2,1-2H3,(H,22,25)
InChIKeyROGYJIZQKCXLBM-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.91
Rot. Bonds3

About 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one

3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 58885014) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID58885014
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)N1CCC(n2cc(-c3cccc(C(F)(F)F)c3)[nH]c2=O)CC1
InChIInChI=1S/C18H22F3N3O/c1-12(2)23-8-6-15(7-9-23)24-11-16(22-17(24)25)13-4-3-5-14(10-13)18(19,20)21/h3-5,10-12,15H,6-9H2,1-2H3,(H,22,25)
InChIKeyROGYJIZQKCXLBM-UHFFFAOYSA-N
XLogP3.91
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 58885014) is 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is CC(C)N1CCC(n2cc(-c3cccc(C(F)(F)F)c3)[nH]c2=O)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is ROGYJIZQKCXLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-12(2)23-8-6-15(7-9-23)24-11-16(22-17(24)25)13-4-3-5-14(10-13)18(19,20)21/h3-5,10-12,15H,6-9H2,1-2H3,(H,22,25).
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 353.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 58885014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).