N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C22H18FN3OS — CID 31406631

IUPACN-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1
InChIInChI=1S/C22H18FN3OS/c1-15-9-10-18(23)19(12-15)25-22(27)17-6-2-3-7-20(17)28-14-16-13-26-11-5-4-8-21(26)24-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyKEAFWXIUMBERRJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.33
Rot. Bonds5

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

N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 31406631) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID31406631
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1
InChIInChI=1S/C22H18FN3OS/c1-15-9-10-18(23)19(12-15)25-22(27)17-6-2-3-7-20(17)28-14-16-13-26-11-5-4-8-21(26)24-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyKEAFWXIUMBERRJ-UHFFFAOYSA-N
XLogP5.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
CID 167974368
N-(2-fluoro-5-methylphenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 40722968
N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
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
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39674127
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
CID 80554638
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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 35707164

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 31406631) is N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is Cc1ccc(F)c(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is KEAFWXIUMBERRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-15-9-10-18(23)19(12-15)25-22(27)17-6-2-3-7-20(17)28-14-16-13-26-11-5-4-8-21(26)24-16/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 31406631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).