N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide

C23H22N4O3S — CID 2038541

IUPACN-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
SMILESCOc1ccc(N2CCn3c(nc4cc(NS(=O)(=O)c5ccccc5)ccc43)C2)cc1
InChIInChI=1S/C23H22N4O3S/c1-30-19-10-8-18(9-11-19)26-13-14-27-22-12-7-17(15-21(22)24-23(27)16-26)25-31(28,29)20-5-3-2-4-6-20/h2-12,15,25H,13-14,16H2,1H3
InChIKeyFNZPAVYXANPXQZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.87
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide

N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide (PubChem CID 2038541) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
PubChem CID2038541
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
SMILESCOc1ccc(N2CCn3c(nc4cc(NS(=O)(=O)c5ccccc5)ccc43)C2)cc1
InChIInChI=1S/C23H22N4O3S/c1-30-19-10-8-18(9-11-19)26-13-14-27-22-12-7-17(15-21(22)24-23(27)16-26)25-31(28,29)20-5-3-2-4-6-20/h2-12,15,25H,13-14,16H2,1H3
InChIKeyFNZPAVYXANPXQZ-UHFFFAOYSA-N
XLogP3.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide;dihydrochloride
CID 146052300
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
CID 4890091
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 46268794
N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
CID 1048274
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
3-[5-(benzenesulfonamido)benzimidazol-1-yl]-3-(4-methoxyphenyl)propanoic acid
CID 11626589
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(thiophen-2-ylsulfonylamino)quinoline-4-carboxylic acid
CID 46298178
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835
N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 29126924

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide (CID 2038541) is N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide is COc1ccc(N2CCn3c(nc4cc(NS(=O)(=O)c5ccccc5)ccc43)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide?
The InChIKey is FNZPAVYXANPXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-30-19-10-8-18(9-11-19)26-13-14-27-22-12-7-17(15-21(22)24-23(27)16-26)25-31(28,29)20-5-3-2-4-6-20/h2-12,15,25H,13-14,16H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide?
N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide is sourced from PubChem (CID 2038541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).