2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide

C20H16N4OS — CID 167974368

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C20H16N4OS/c25-20(23-18-9-3-5-11-21-18)16-7-1-2-8-17(16)26-14-15-13-24-12-6-4-10-19(24)22-15/h1-13H,14H2,(H,21,23,25)
InChIKeyHJKSTMCWYAHSFX-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.27
Rot. Bonds5

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide (PubChem CID 167974368) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
PubChem CID167974368
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C20H16N4OS/c25-20(23-18-9-3-5-11-21-18)16-7-1-2-8-17(16)26-14-15-13-24-12-6-4-10-19(24)22-15/h1-13H,14H2,(H,21,23,25)
InChIKeyHJKSTMCWYAHSFX-UHFFFAOYSA-N
XLogP4.27
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31406631
N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119629702
N-[2-(ethylamino)-2-oxoethyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78886751
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39674127
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 35707164
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
CID 154858648
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 37288276
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55965135

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide (CID 167974368) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccccc1SCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide?
The InChIKey is HJKSTMCWYAHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-20(23-18-9-3-5-11-21-18)16-7-1-2-8-17(16)26-14-15-13-24-12-6-4-10-19(24)22-15/h1-13H,14H2,(H,21,23,25).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 167974368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).