N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine

C23H25F3N4O2S — CID 176898734

IUPACN-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2c2ccccc2CNc2cnc[nH]2)cc1
InChIInChI=1S/C23H25F3N4O2S/c1-16-6-8-19(9-7-16)33(31,32)30-11-10-18(23(24,25)26)12-21(30)20-5-3-2-4-17(20)13-28-22-14-27-15-29-22/h2-9,14-15,18,21,28H,10-13H2,1H3,(H,27,29)
InChIKeySWFLFZUVGLOAJD-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.03
Rot. Bonds6

About N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine

N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine (PubChem CID 176898734) has the molecular formula C23H25F3N4O2S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine
PubChem CID176898734
Molecular FormulaC23H25F3N4O2S
Molecular Weight478.54 g/mol
Exact Mass478.17
IUPAC NameN-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2c2ccccc2CNc2cnc[nH]2)cc1
InChIInChI=1S/C23H25F3N4O2S/c1-16-6-8-19(9-7-16)33(31,32)30-11-10-18(23(24,25)26)12-21(30)20-5-3-2-4-17(20)13-28-22-14-27-15-29-22/h2-9,14-15,18,21,28H,10-13H2,1H3,(H,27,29)
InChIKeySWFLFZUVGLOAJD-UHFFFAOYSA-N
XLogP5.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-2-[2-(methoxymethyl)phenyl]-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine
CID 170947858
3-[[2-[(2S,4R)-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-2-(sulfanylidenemethylidene)-7H-purin-6-one
CID 176545788
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 102416693
2,2,2-trichloroethyl N-[(2S,3R)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-yl]sulfamate
CID 132540243
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine?
The IUPAC name of N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine (CID 176898734) is N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine.
What is the SMILES notation for N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine?
The canonical SMILES for N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine is Cc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2c2ccccc2CNc2cnc[nH]2)cc1.
What is the InChIKey of N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine?
The InChIKey is SWFLFZUVGLOAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2S/c1-16-6-8-19(9-7-16)33(31,32)30-11-10-18(23(24,25)26)12-21(30)20-5-3-2-4-17(20)13-28-22-14-27-15-29-22/h2-9,14-15,18,21,28H,10-13H2,1H3,(H,27,29).
What are the key properties of N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine?
N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine has a molecular weight of 478.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]-1H-imidazol-5-amine is sourced from PubChem (CID 176898734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).