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

C24H24N4O2S — CID 2211754

IUPACN-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H24N4O2S/c1-18-7-10-21(11-8-18)31(29,30)26-20-9-12-23-22(15-20)25-24-17-27(13-14-28(23)24)16-19-5-3-2-4-6-19/h2-12,15,26H,13-14,16-17H2,1H3
InChIKeySKXUNYLMUZTGRV-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.16
Rot. Bonds5

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

N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide (PubChem CID 2211754) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide
PubChem CID2211754
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H24N4O2S/c1-18-7-10-21(11-8-18)31(29,30)26-20-9-12-23-22(15-20)25-24-17-27(13-14-28(23)24)16-19-5-3-2-4-6-19/h2-12,15,26H,13-14,16-17H2,1H3
InChIKeySKXUNYLMUZTGRV-UHFFFAOYSA-N
XLogP4.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Grapiprant
CID 11677589
XL147
CID 1893730
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
Pf-05212377
CID 46203710
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
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, 7
CID 11846463
2,4-Diaminopyrimidine-based antagonist, 8a
CID 11846624
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

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide (CID 2211754) is N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide?
The InChIKey is SKXUNYLMUZTGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-18-7-10-21(11-8-18)31(29,30)26-20-9-12-23-22(15-20)25-24-17-27(13-14-28(23)24)16-19-5-3-2-4-6-19/h2-12,15,26H,13-14,16-17H2,1H3.
What are the key properties of N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide?
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methylbenzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.16, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2211754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).