2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C23H19F2N3OS — CID 122283772

IUPAC2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccn2cc(-c3ccc(C)c(NC(=O)c4ccccc4SC(F)F)c3)nc2c1
InChIInChI=1S/C23H19F2N3OS/c1-14-9-10-28-13-19(26-21(28)11-14)16-8-7-15(2)18(12-16)27-22(29)17-5-3-4-6-20(17)30-23(24)25/h3-13,23H,1-2H3,(H,27,29)
InChIKeyPRNFLYPXRVFKSB-UHFFFAOYSA-N
MW423.49 g/mol
LogP6.19
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 122283772) has the molecular formula C23H19F2N3OS and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID122283772
Molecular FormulaC23H19F2N3OS
Molecular Weight423.49 g/mol
Exact Mass423.12
IUPAC Name2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccn2cc(-c3ccc(C)c(NC(=O)c4ccccc4SC(F)F)c3)nc2c1
InChIInChI=1S/C23H19F2N3OS/c1-14-9-10-28-13-19(26-21(28)11-14)16-8-7-15(2)18(12-16)27-22(29)17-5-3-4-6-20(17)30-23(24)25/h3-13,23H,1-2H3,(H,27,29)
InChIKeyPRNFLYPXRVFKSB-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-(difluoromethylsulfanyl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283944
N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
CID 121089943
2-chloro-4-fluoro-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121089949
3-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055687
N-[2-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-2-oxoethyl]benzamide
CID 121055785
2-bromo-5-methoxy-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283799
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122283530
3-cyano-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283755
5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122283713
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 121089741
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3-methylbenzamide
CID 121055646

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 122283772) is 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is Cc1ccn2cc(-c3ccc(C)c(NC(=O)c4ccccc4SC(F)F)c3)nc2c1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is PRNFLYPXRVFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3OS/c1-14-9-10-28-13-19(26-21(28)11-14)16-8-7-15(2)18(12-16)27-22(29)17-5-3-4-6-20(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-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
2-(difluoromethylsulfanyl)-N-[2-methyl-5-(7-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-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 122283772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).