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

C23H22N4O2S — CID 2039682

IUPACN-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H22N4O2S/c28-30(29,20-9-5-2-6-10-20)25-19-11-12-22-21(15-19)24-23-17-26(13-14-27(22)23)16-18-7-3-1-4-8-18/h1-12,15,25H,13-14,16-17H2
InChIKeyDFAKYWYHJUOCTF-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.85
Rot. Bonds5

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

N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide (PubChem CID 2039682) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
PubChem CID2039682
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H22N4O2S/c28-30(29,20-9-5-2-6-10-20)25-19-11-12-22-21(15-19)24-23-17-26(13-14-27(22)23)16-18-7-3-1-4-8-18/h1-12,15,25H,13-14,16-17H2
InChIKeyDFAKYWYHJUOCTF-UHFFFAOYSA-N
XLogP3.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Grapiprant
CID 11677589
XL147
CID 1893730
Pf-05212377
CID 46203710
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
2,4-Diaminopyrimidine-based antagonist, 8b
CID 11846625
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 44567335
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
N-(2-((4-benzylpiperidin-1-yl)methyl)benzimidazol-5-yl)methanesulfonamide
CID 9822219
N-Methyl-N-{2-methyl-4-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-2-phenylbutyl}benzenesulfonamide
CID 50942877
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]methanesulfonamide
CID 57441073

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide?
The IUPAC name of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide (CID 2039682) is N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide?
The canonical SMILES for N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide?
The InChIKey is DFAKYWYHJUOCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-30(29,20-9-5-2-6-10-20)25-19-11-12-22-21(15-19)24-23-17-26(13-14-27(22)23)16-18-7-3-1-4-8-18/h1-12,15,25H,13-14,16-17H2.
What are the key properties of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide?
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide is sourced from PubChem (CID 2039682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).