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

C18H19N3O4S — CID 20866198

IUPAC2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-24-16-8-7-13(11-17(16)25-2)26(22,23)20-9-10-21-15-6-4-3-5-14(15)19-18(21)12-20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyPHPXHEVOJNGJNZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.26
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 20866198) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID20866198
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-24-16-8-7-13(11-17(16)25-2)26(22,23)20-9-10-21-15-6-4-3-5-14(15)19-18(21)12-20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyPHPXHEVOJNGJNZ-UHFFFAOYSA-N
XLogP2.26
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 110872466
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1-propan-2-ylbenzimidazole
CID 95788619
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
5-(3,4-dimethoxyphenyl)sulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060492
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 35279941
2-methoxy-5-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)aniline
CID 29134829
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-nitrophenyl)sulfonylpiperazine
CID 19684836
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 20866198) is 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is COc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is PHPXHEVOJNGJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-24-16-8-7-13(11-17(16)25-2)26(22,23)20-9-10-21-15-6-4-3-5-14(15)19-18(21)12-20/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 373.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 20866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).