2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C18H19N3O2S — CID 110872466

IUPAC2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCCc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-14-7-9-15(10-8-14)24(22,23)20-11-12-21-17-6-4-3-5-16(17)19-18(21)13-20/h3-10H,2,11-13H2,1H3
InChIKeyDRUVZCWLFIAZBP-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 110872466) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID110872466
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCCc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-14-7-9-15(10-8-14)24(22,23)20-11-12-21-17-6-4-3-5-16(17)19-18(21)13-20/h3-10H,2,11-13H2,1H3
InChIKeyDRUVZCWLFIAZBP-UHFFFAOYSA-N
XLogP2.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 20866198
2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 5308283
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-ylsulfonyl)phenyl]acetamide
CID 155900012
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
CID 110872437
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
CID 110872438
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135846060
[[(6-amino-4-methyl-2-pyridinyl)amino]-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-oxo-λ6-sulfanylidene]oxidanium
CID 143305050
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583
3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one
CID 20866205
N-[4-(2,3,5,6-tetrahydro-1H-[1,3,6]triazocino[1,2-a]benzimidazol-4-ylsulfonyl)phenyl]methanesulfonamide
CID 135708779

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 110872466) is 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is CCc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is DRUVZCWLFIAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-14-7-9-15(10-8-14)24(22,23)20-11-12-21-17-6-4-3-5-16(17)19-18(21)13-20/h3-10H,2,11-13H2,1H3.
What are the key properties of 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 341.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 110872466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).