2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C13H17N3O2S — CID 5308283

IUPAC2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCCCS(=O)(=O)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C13H17N3O2S/c1-2-9-19(17,18)15-7-8-16-12-6-4-3-5-11(12)14-13(16)10-15/h3-6H,2,7-10H2,1H3
InChIKeyCGWRFXPAJVKACH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.59
Rot. Bonds3

About 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 5308283) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID5308283
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCCCS(=O)(=O)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C13H17N3O2S/c1-2-9-19(17,18)15-7-8-16-12-6-4-3-5-11(12)14-13(16)10-15/h3-6H,2,7-10H2,1H3
InChIKeyCGWRFXPAJVKACH-UHFFFAOYSA-N
XLogP1.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pf-05212377
CID 46203710
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CID 415665
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459
1-ethyl-1H-1,3-benzodiazole
CID 485094
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705
1,2-Dimethylbenzimidazole
CID 312693
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1H-Benzimidazolium, 1,2,3-trimethyl-, iodide (1:1)
CID 199168
1-Ethyl-2-methylbenzimidazole
CID 22054
1-propyl-1H-1,3-benzodiazol-2-amine
CID 799602

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 5308283) is 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is CCCS(=O)(=O)N1CCn2c(nc3ccccc32)C1.
What is the InChIKey of 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is CGWRFXPAJVKACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-9-19(17,18)15-7-8-16-12-6-4-3-5-11(12)14-13(16)10-15/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 279.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 5308283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).