N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide

C21H18N4OS — CID 118273162

IUPACN-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCSc1nccn2c(-c3ccc(C(=O)NCc4ccccc4)cc3)cnc12
InChIInChI=1S/C21H18N4OS/c1-27-21-19-23-14-18(25(19)12-11-22-21)16-7-9-17(10-8-16)20(26)24-13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyNSAFVPYINGVVSR-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.05
Rot. Bonds5

About N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide

N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide (PubChem CID 118273162) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide
PubChem CID118273162
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCSc1nccn2c(-c3ccc(C(=O)NCc4ccccc4)cc3)cnc12
InChIInChI=1S/C21H18N4OS/c1-27-21-19-23-14-18(25(19)12-11-22-21)16-7-9-17(10-8-16)20(26)24-13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyNSAFVPYINGVVSR-UHFFFAOYSA-N
XLogP4.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(8-aminoimidazo[1,2-a]pyrazin-5-yl)-N-benzylbenzamide;ethane
CID 143465123
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
N-benzyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082231
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
N-benzyl-4-[2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082227
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The IUPAC name of N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide (CID 118273162) is N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The canonical SMILES for N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide is CSc1nccn2c(-c3ccc(C(=O)NCc4ccccc4)cc3)cnc12.
What is the InChIKey of N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The InChIKey is NSAFVPYINGVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-27-21-19-23-14-18(25(19)12-11-22-21)16-7-9-17(10-8-16)20(26)24-13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,26).
What are the key properties of N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide?
N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 118273162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).