N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C24H24N4O2S — CID 59007884

IUPACN-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCN(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C24H24N4O2S/c1-28(2)19-12-8-17(9-13-19)10-15-24-25-22-14-11-18(16-23(22)26-24)20-6-4-5-7-21(20)27-31(3,29)30/h4-16,27H,1-3H3,(H,25,26)/b15-10+
InChIKeyGRUYEJOLVKNPLX-XNTDXEJSSA-N
MW432.55 g/mol
LogP4.84
Rot. Bonds6

About N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 59007884) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID59007884
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCN(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C24H24N4O2S/c1-28(2)19-12-8-17(9-13-19)10-15-24-25-22-14-11-18(16-23(22)26-24)20-6-4-5-7-21(20)27-31(3,29)30/h4-16,27H,1-3H3,(H,25,26)/b15-10+
InChIKeyGRUYEJOLVKNPLX-XNTDXEJSSA-N
XLogP4.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 59007884) is N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CN(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is GRUYEJOLVKNPLX-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-28(2)19-12-8-17(9-13-19)10-15-24-25-22-14-11-18(16-23(22)26-24)20-6-4-5-7-21(20)27-31(3,29)30/h4-16,27H,1-3H3,(H,25,26)/b15-10+.
What are the key properties of N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59007884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).