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

C24H25F3N4O2S — CID 141097465

IUPAC4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
SMILESCC1(C)CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1Nc1ccccc1
InChIInChI=1S/C24H25F3N4O2S/c1-23(2)16-30(20-8-10-21(11-9-20)34(32,33)24(25,26)27)17-31(23)15-18-12-13-28-14-22(18)29-19-6-4-3-5-7-19/h3-14,29H,15-17H2,1-2H3
InChIKeyDXGUMTUBVFHPSC-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.18
Rot. Bonds6

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

4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine (PubChem CID 141097465) has the molecular formula C24H25F3N4O2S and a molecular weight of 490.55 g/mol. Its IUPAC name is 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
PubChem CID141097465
Molecular FormulaC24H25F3N4O2S
Molecular Weight490.55 g/mol
Exact Mass490.17
IUPAC Name4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine
SMILESCC1(C)CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1Nc1ccccc1
InChIInChI=1S/C24H25F3N4O2S/c1-23(2)16-30(20-8-10-21(11-9-20)34(32,33)24(25,26)27)17-31(23)15-18-12-13-28-14-22(18)29-19-6-4-3-5-7-19/h3-14,29H,15-17H2,1-2H3
InChIKeyDXGUMTUBVFHPSC-UHFFFAOYSA-N
XLogP5.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.18
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-propan-2-ylpyridin-3-amine
CID 141097173
1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
CID 141097279
N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
CID 141097721
1-[(3-anilino-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91381967
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158
4-hydroxy-5-methyl-1-[[3-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90965455
5-methyl-4-[[6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinoline
CID 141097567
N-methyl-N-phenyl-4-[[3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxamide
CID 141097224
4-[[6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]quinolin-8-amine
CID 141097407
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide
CID 90710074
tert-butyl 4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxylate
CID 141097685
1-[[3-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91164387

Frequently Asked Questions

What is the IUPAC name of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine?
The IUPAC name of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine (CID 141097465) is 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine.
What is the SMILES notation for 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine?
The canonical SMILES for 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine is CC1(C)CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1Nc1ccccc1.
What is the InChIKey of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine?
The InChIKey is DXGUMTUBVFHPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2S/c1-23(2)16-30(20-8-10-21(11-9-20)34(32,33)24(25,26)27)17-31(23)15-18-12-13-28-14-22(18)29-19-6-4-3-5-7-19/h3-14,29H,15-17H2,1-2H3.
What are the key properties of 4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine?
4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridin-3-amine has a molecular weight of 490.55 g/mol, XLogP of 5.18, 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-phenylpyridin-3-amine is sourced from PubChem (CID 141097465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).