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

C18H22F3N3O — CID 58885091

IUPAC3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)N1CCC(n2cc(-c3ccc(C(F)(F)F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C18H22F3N3O/c1-12(2)23-9-7-15(8-10-23)24-11-16(22-17(24)25)13-3-5-14(6-4-13)18(19,20)21/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,25)
InChIKeyVRHPTIUFIFHFDW-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.91
Rot. Bonds3

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

3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 58885091) 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-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID58885091
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESCC(C)N1CCC(n2cc(-c3ccc(C(F)(F)F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C18H22F3N3O/c1-12(2)23-9-7-15(8-10-23)24-11-16(22-17(24)25)13-3-5-14(6-4-13)18(19,20)21/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,25)
InChIKeyVRHPTIUFIFHFDW-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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Related Compounds

(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10594764
1-(1-Benzyl-piperidin-4-yl)-3-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10783874
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
5-Methyl-1-[1-(3-methyl-benzyl)-piperidin-4-yl]-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10546540
1-[(4-Methylphenyl)methyl]-1,3-diazinan-2-one
CID 5076486
3-(1-Benzyl-4-piperidyl)-5-methyl-4-phenyl-1H-imidazol-2-one
CID 10569690
1-(1-Benzyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10735405

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 58885091) is 3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one is CC(C)N1CCC(n2cc(-c3ccc(C(F)(F)F)cc3)[nH]c2=O)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is VRHPTIUFIFHFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-12(2)23-9-7-15(8-10-23)24-11-16(22-17(24)25)13-3-5-14(6-4-13)18(19,20)21/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
3-(1-propan-2-ylpiperidin-4-yl)-5-[4-(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-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 58885091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).