2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide

C22H17F2N3OS — CID 122283600

IUPAC2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C22H17F2N3OS/c1-14-9-10-15(18-13-27-11-5-4-8-20(27)25-18)12-17(14)26-21(28)16-6-2-3-7-19(16)29-22(23)24/h2-13,22H,1H3,(H,26,28)
InChIKeyHMFUEXYXLOSVSJ-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.88
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide

2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide (PubChem CID 122283600) has the molecular formula C22H17F2N3OS and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide
PubChem CID122283600
Molecular FormulaC22H17F2N3OS
Molecular Weight409.46 g/mol
Exact Mass409.11
IUPAC Name2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C22H17F2N3OS/c1-14-9-10-15(18-13-27-11-5-4-8-20(27)25-18)12-17(14)26-21(28)16-6-2-3-7-19(16)29-22(23)24/h2-13,22H,1H3,(H,26,28)
InChIKeyHMFUEXYXLOSVSJ-UHFFFAOYSA-N
XLogP5.88
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283772
2-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283944
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122283530
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-(trifluoromethoxy)benzamide
CID 122283607
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide
CID 122283536
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,4-dimethylbenzamide
CID 121055609
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3-methylbenzamide
CID 121055646
2-ethyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)butanamide
CID 121055624
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
CID 121055658
(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea
CID 169358367
N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
CID 121089943
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxyacetamide
CID 121055747

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide (CID 122283600) is 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide is Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide?
The InChIKey is HMFUEXYXLOSVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3OS/c1-14-9-10-15(18-13-27-11-5-4-8-20(27)25-18)12-17(14)26-21(28)16-6-2-3-7-19(16)29-22(23)24/h2-13,22H,1H3,(H,26,28).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide?
2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide has a molecular weight of 409.46 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzamide is sourced from PubChem (CID 122283600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).