2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C23H19F2N3OS — CID 122283944

IUPAC2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C23H19F2N3OS/c1-14-9-10-16(19-13-28-11-5-6-15(2)21(28)26-19)12-18(14)27-22(29)17-7-3-4-8-20(17)30-23(24)25/h3-13,23H,1-2H3,(H,27,29)
InChIKeyKJYQZXHLUMUWLC-UHFFFAOYSA-N
MW423.49 g/mol
LogP6.19
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 122283944) has the molecular formula C23H19F2N3OS and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID122283944
Molecular FormulaC23H19F2N3OS
Molecular Weight423.49 g/mol
Exact Mass423.12
IUPAC Name2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C23H19F2N3OS/c1-14-9-10-16(19-13-28-11-5-6-15(2)21(28)26-19)12-18(14)27-22(29)17-7-3-4-8-20(17)30-23(24)25/h3-13,23H,1-2H3,(H,27,29)
InChIKeyKJYQZXHLUMUWLC-UHFFFAOYSA-N
XLogP6.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide
CID 122283600
2-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055633
2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283772
2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055758
4-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055671
3-methyl-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055648
4-methyl-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 122283931
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 122323335
N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121055587
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122283530
2-cyclopropyl-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122283948
N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122283973

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 122283944) is 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is Cc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is KJYQZXHLUMUWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3OS/c1-14-9-10-16(19-13-28-11-5-6-15(2)21(28)26-19)12-18(14)27-22(29)17-7-3-4-8-20(17)30-23(24)25/h3-13,23H,1-2H3,(H,27,29).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 122283944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).