1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine

C22H28F3N5S — CID 141097115

IUPAC1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine
SMILESCC1CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C22H28F3N5S/c1-17-14-30(19-3-5-20(6-4-19)31-22(23,24)25)16-29(17)15-18-7-8-26-21(13-18)28-11-9-27(2)10-12-28/h3-8,13,17H,9-12,14-16H2,1-2H3
InChIKeyOJBHBBWEQWQHNP-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.11
Rot. Bonds5

About 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine

1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine (PubChem CID 141097115) has the molecular formula C22H28F3N5S and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine
PubChem CID141097115
Molecular FormulaC22H28F3N5S
Molecular Weight451.56 g/mol
Exact Mass451.20
IUPAC Name1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine
SMILESCC1CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C22H28F3N5S/c1-17-14-30(19-3-5-20(6-4-19)31-22(23,24)25)16-29(17)15-18-7-8-26-21(13-18)28-11-9-27(2)10-12-28/h3-8,13,17H,9-12,14-16H2,1-2H3
InChIKeyOJBHBBWEQWQHNP-UHFFFAOYSA-N
XLogP4.11
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine with MolForge

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742686
4,4-dimethyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]-1,3-diazinane-2,5-dione
CID 142929096
N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
CID 141097386
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl] benzoate
CID 141097439
1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine
CID 141399063
tert-butyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate;2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetamide
CID 162087129
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63619592
[4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]-2-pyridinyl]methanol
CID 141097286
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62279824
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 63619417

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine (CID 141097115) is 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine is CC1CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine?
The InChIKey is OJBHBBWEQWQHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5S/c1-17-14-30(19-3-5-20(6-4-19)31-22(23,24)25)16-29(17)15-18-7-8-26-21(13-18)28-11-9-27(2)10-12-28/h3-8,13,17H,9-12,14-16H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine?
1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine has a molecular weight of 451.56 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 141097115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).