1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine

C13H17F3N2OS — CID 151810783

IUPAC1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine
SMILESCc1cc(C)c(S(=O)CC(F)(F)F)cc1N1CCNC1
InChIInChI=1S/C13H17F3N2OS/c1-9-5-10(2)12(20(19)7-13(14,15)16)6-11(9)18-4-3-17-8-18/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeySAOLCDMMWARZSY-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.34
Rot. Bonds3

About 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine

1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine (PubChem CID 151810783) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine
PubChem CID151810783
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine
SMILESCc1cc(C)c(S(=O)CC(F)(F)F)cc1N1CCNC1
InChIInChI=1S/C13H17F3N2OS/c1-9-5-10(2)12(20(19)7-13(14,15)16)6-11(9)18-4-3-17-8-18/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeySAOLCDMMWARZSY-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-[2-fluoro-4-methyl-5-[(S)-2,2,2-trifluoroethylsulfinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazole
CID 88989974
2,4-dimethyl-5-piperazin-1-ylaniline
CID 4738791
3-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-5-(morpholine-4-carbonyl)imidazolidine-2,4-dione
CID 121396458
2-[2-fluoro-4-methyl-5-[(R)-2,2,2-trifluoroethylsulfinyl]phenyl]-3H-isoindol-1-one
CID 178073603
3-(difluoromethyl)-1-[2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropylsulfinyl)phenyl]-1,2,4-triazole
CID 58152692
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine
CID 115033526
1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
CID 155722191
1-[(1R)-1-(3,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171169052
1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine
CID 64565327
1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
CID 112741724

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine?
The IUPAC name of 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine (CID 151810783) is 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine.
What is the SMILES notation for 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine?
The canonical SMILES for 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine is Cc1cc(C)c(S(=O)CC(F)(F)F)cc1N1CCNC1.
What is the InChIKey of 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine?
The InChIKey is SAOLCDMMWARZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-9-5-10(2)12(20(19)7-13(14,15)16)6-11(9)18-4-3-17-8-18/h5-6,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine?
1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine has a molecular weight of 306.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]imidazolidine is sourced from PubChem (CID 151810783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).