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

C22H23F3N4O — CID 23300020

IUPAC4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one
SMILESCC1(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C22H23F3N4O/c1-21(20(30)26-19(27-21)16-6-3-2-4-7-16)15-28-10-12-29(13-11-28)18-9-5-8-17(14-18)22(23,24)25/h2-9,14H,10-13,15H2,1H3,(H,26,27,30)
InChIKeyTVYQCMSRUMBILR-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.16
Rot. Bonds4

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

4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one (PubChem CID 23300020) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one
PubChem CID23300020
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one
SMILESCC1(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C22H23F3N4O/c1-21(20(30)26-19(27-21)16-6-3-2-4-7-16)15-28-10-12-29(13-11-28)18-9-5-8-17(14-18)22(23,24)25/h2-9,14H,10-13,15H2,1H3,(H,26,27,30)
InChIKeyTVYQCMSRUMBILR-UHFFFAOYSA-N
XLogP3.16
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one?
The IUPAC name of 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one (CID 23300020) is 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one.
What is the SMILES notation for 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one?
The canonical SMILES for 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one is CC1(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)N=C(c2ccccc2)NC1=O.
What is the InChIKey of 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one?
The InChIKey is TVYQCMSRUMBILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-21(20(30)26-19(27-21)16-6-3-2-4-7-16)15-28-10-12-29(13-11-28)18-9-5-8-17(14-18)22(23,24)25/h2-9,14H,10-13,15H2,1H3,(H,26,27,30).
What are the key properties of 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one?
4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one has a molecular weight of 416.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-imidazol-5-one is sourced from PubChem (CID 23300020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).