N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide

C24H23F3N4OS — CID 141097386

IUPACN-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
SMILESCC1CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)c1ccccc1
InChIInChI=1S/C24H23F3N4OS/c1-17-14-31(20-7-9-21(10-8-20)33-24(25,26)27)16-30(17)15-19-11-12-28-13-22(19)29-23(32)18-5-3-2-4-6-18/h2-13,17H,14-16H2,1H3,(H,29,32)
InChIKeyHLTMKJCCEIXEDL-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.61
Rot. Bonds6

About N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide

N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide (PubChem CID 141097386) has the molecular formula C24H23F3N4OS and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
PubChem CID141097386
Molecular FormulaC24H23F3N4OS
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC NameN-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
SMILESCC1CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)c1ccccc1
InChIInChI=1S/C24H23F3N4OS/c1-17-14-31(20-7-9-21(10-8-20)33-24(25,26)27)16-30(17)15-19-11-12-28-13-22(19)29-23(32)18-5-3-2-4-6-18/h2-13,17H,14-16H2,1H3,(H,29,32)
InChIKeyHLTMKJCCEIXEDL-UHFFFAOYSA-N
XLogP5.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide
CID 141097417
1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
CID 141097279
tert-butyl 4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxylate
CID 141097685
ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]carbamate
CID 91386174
N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
CID 141097721
1-benzyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]urea
CID 68764737
1-methyl-4-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]piperazine
CID 141097115
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90884770
[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl] benzoate
CID 141097439
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide
CID 90809807
4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid
CID 90988500
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
The IUPAC name of N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide (CID 141097386) is N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide is CC1CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
The InChIKey is HLTMKJCCEIXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4OS/c1-17-14-31(20-7-9-21(10-8-20)33-24(25,26)27)16-30(17)15-19-11-12-28-13-22(19)29-23(32)18-5-3-2-4-6-18/h2-13,17H,14-16H2,1H3,(H,29,32).
What are the key properties of N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide?
N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 141097386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).