4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide

C24H20F4N4OS — CID 141097417

IUPAC4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide
SMILESCC1=CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20F4N4OS/c1-16-13-32(20-6-8-21(9-7-20)34-24(26,27)28)15-31(16)14-18-10-11-29-12-22(18)30-23(33)17-2-4-19(25)5-3-17/h2-13H,14-15H2,1H3,(H,30,33)
InChIKeyTYWOLMWKDQYQKD-UHFFFAOYSA-N
MW488.51 g/mol
LogP6.23
Rot. Bonds6

About 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide

4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide (PubChem CID 141097417) has the molecular formula C24H20F4N4OS and a molecular weight of 488.51 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide
PubChem CID141097417
Molecular FormulaC24H20F4N4OS
Molecular Weight488.51 g/mol
Exact Mass488.13
IUPAC Name4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide
SMILESCC1=CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20F4N4OS/c1-16-13-32(20-6-8-21(9-7-20)34-24(26,27)28)15-31(16)14-18-10-11-29-12-22(18)30-23(33)17-2-4-19(25)5-3-17/h2-13H,14-15H2,1H3,(H,30,33)
InChIKeyTYWOLMWKDQYQKD-UHFFFAOYSA-N
XLogP6.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
CID 141097386
1-[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-3-phenylurea
CID 141097279
ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]carbamate
CID 91386174
4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-3-carboxamide
CID 141097265
N,N-dimethyl-1-[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]methanamine
CID 141097737
4-chloro-N-[4-[[3-(4-methoxyphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-3-pyridinyl]benzamide
CID 140812855
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90884770
1-benzyl-3-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]urea
CID 68764737
4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylic acid
CID 90988500
N-phenyl-4-[[6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]methyl]pyridin-3-amine
CID 141097721
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 122141336
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
CID 55786011

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide (CID 141097417) is 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide is CC1=CN(c2ccc(SC(F)(F)F)cc2)CN1Cc1ccncc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide?
The InChIKey is TYWOLMWKDQYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4OS/c1-16-13-32(20-6-8-21(9-7-20)34-24(26,27)28)15-31(16)14-18-10-11-29-12-22(18)30-23(33)17-2-4-19(25)5-3-17/h2-13H,14-15H2,1H3,(H,30,33).
What are the key properties of 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide?
4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide has a molecular weight of 488.51 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[5-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazol-1-yl]methyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 141097417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).