3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide

C23H18F2N4OS — CID 52949429

IUPAC3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCSc1nc(-c2ccnc(NC(=O)c3ccc(C)c(F)c3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H18F2N4OS/c1-13-3-4-16(11-18(13)25)22(30)27-19-12-15(9-10-26-19)21-20(28-23(29-21)31-2)14-5-7-17(24)8-6-14/h3-12H,1-2H3,(H,28,29)(H,26,27,30)
InChIKeyZNYUDLLUWJNBHW-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.70
Rot. Bonds5

About 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide

3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 52949429) has the molecular formula C23H18F2N4OS and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide
PubChem CID52949429
Molecular FormulaC23H18F2N4OS
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCSc1nc(-c2ccnc(NC(=O)c3ccc(C)c(F)c3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C23H18F2N4OS/c1-13-3-4-16(11-18(13)25)22(30)27-19-12-15(9-10-26-19)21-20(28-23(29-21)31-2)14-5-7-17(24)8-6-14/h3-12H,1-2H3,(H,28,29)(H,26,27,30)
InChIKeyZNYUDLLUWJNBHW-UHFFFAOYSA-N
XLogP5.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
3-(2-(3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11625929
Cbs-3595
CID 11639342
{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
ML-3403
CID 6419739
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
Oxo-arpromidine
CID 25149244
N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 44143503
N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]phenyl]-3-(propanoylamino)benzamide
CID 137652755
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide (CID 52949429) is 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide is CSc1nc(-c2ccnc(NC(=O)c3ccc(C)c(F)c3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is ZNYUDLLUWJNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS/c1-13-3-4-16(11-18(13)25)22(30)27-19-12-15(9-10-26-19)21-20(28-23(29-21)31-2)14-5-7-17(24)8-6-14/h3-12H,1-2H3,(H,28,29)(H,26,27,30).
What are the key properties of 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide?
3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 436.49 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 52949429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).