3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one

C19H19N3O3S — CID 20866205

IUPAC3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H19N3O3S/c23-19(10-13-26(24,25)15-6-2-1-3-7-15)21-11-12-22-17-9-5-4-8-16(17)20-18(22)14-21/h1-9H,10-14H2
InChIKeyUFJMUDRSEARKNQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.24
Rot. Bonds4

About 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one

3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one (PubChem CID 20866205) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one
PubChem CID20866205
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H19N3O3S/c23-19(10-13-26(24,25)15-6-2-1-3-7-15)21-11-12-22-17-9-5-4-8-16(17)20-18(22)14-21/h1-9H,10-14H2
InChIKeyUFJMUDRSEARKNQ-UHFFFAOYSA-N
XLogP2.24
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
CID 110872437
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
CID 110872438
1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
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CID 17449768
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N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide
CID 3238265
3-(benzenesulfonyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
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3-(benzenesulfonyl)-1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169416689
3-(benzenesulfonyl)-1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 122162017
1-[3-(benzenesulfonyl)propanoyl]pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one (CID 20866205) is 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one is O=C(CCS(=O)(=O)c1ccccc1)N1CCn2c(nc3ccccc32)C1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one?
The InChIKey is UFJMUDRSEARKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-19(10-13-26(24,25)15-6-2-1-3-7-15)21-11-12-22-17-9-5-4-8-16(17)20-18(22)14-21/h1-9H,10-14H2.
What are the key properties of 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one?
3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one has a molecular weight of 369.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one is sourced from PubChem (CID 20866205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).