1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine

C16H19F3N4O2S — CID 20595837

IUPAC1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H19F3N4O2S/c1-21-11-14(12-4-3-5-13(10-12)16(17,18)19)20-15(21)22-6-8-23(9-7-22)26(2,24)25/h3-5,10-11H,6-9H2,1-2H3
InChIKeyBMHBIFKEUDFBQT-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.19
Rot. Bonds3

About 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine

1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine (PubChem CID 20595837) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
PubChem CID20595837
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC Name1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H19F3N4O2S/c1-21-11-14(12-4-3-5-13(10-12)16(17,18)19)20-15(21)22-6-8-23(9-7-22)26(2,24)25/h3-5,10-11H,6-9H2,1-2H3
InChIKeyBMHBIFKEUDFBQT-UHFFFAOYSA-N
XLogP2.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide
CID 20595893
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46082145
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46081977
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 11267697
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46082049
trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 59073926
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
1-(6-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3836694
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
The IUPAC name of 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine (CID 20595837) is 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
The canonical SMILES for 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine is Cn1cc(-c2cccc(C(F)(F)F)c2)nc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
The InChIKey is BMHBIFKEUDFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-21-11-14(12-4-3-5-13(10-12)16(17,18)19)20-15(21)22-6-8-23(9-7-22)26(2,24)25/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine?
1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine has a molecular weight of 388.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine is sourced from PubChem (CID 20595837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).