4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine

C21H27F3N4O2S — CID 141097173

IUPAC4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cnccc1CN1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1(C)C
InChIInChI=1S/C21H27F3N4O2S/c1-15(2)26-19-11-25-10-9-16(19)12-28-14-27(13-20(28,3)4)17-5-7-18(8-6-17)31(29,30)21(22,23)24/h5-11,15,26H,12-14H2,1-4H3
InChIKeyZKPOELWDJUSWBN-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.25
Rot. Bonds6

About 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine

4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine (PubChem CID 141097173) has the molecular formula C21H27F3N4O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine
PubChem CID141097173
Molecular FormulaC21H27F3N4O2S
Molecular Weight456.53 g/mol
Exact Mass456.18
IUPAC Name4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cnccc1CN1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1(C)C
InChIInChI=1S/C21H27F3N4O2S/c1-15(2)26-19-11-25-10-9-16(19)12-28-14-27(13-20(28,3)4)17-5-7-18(8-6-17)31(29,30)21(22,23)24/h5-11,15,26H,12-14H2,1-4H3
InChIKeyZKPOELWDJUSWBN-UHFFFAOYSA-N
XLogP4.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
CID 141097465
1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
CID 141097279
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158
5-methyl-4-[[6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinoline
CID 141097567
tert-butyl 4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxylate
CID 141097685
4-[[6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinolin-8-amine
CID 141097407
1-[[3-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91164387
N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine
CID 141097737
N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
CID 141097721
4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride
CID 11218619
N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide
CID 141097224
1-[(3-anilino-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91381967

Frequently Asked Questions

What is the IUPAC name of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine (CID 141097173) is 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cnccc1CN1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1(C)C.
What is the InChIKey of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is ZKPOELWDJUSWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2S/c1-15(2)26-19-11-25-10-9-16(19)12-28-14-27(13-20(28,3)4)17-5-7-18(8-6-17)31(29,30)21(22,23)24/h5-11,15,26H,12-14H2,1-4H3.
What are the key properties of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine?
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 456.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 141097173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).