ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide

C119H135N10O3+ — CID 162122143

IUPACethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide
SMILESCC.CNc1ccccc1N(Cc1ccc(C)cc1)C(=O)c1c(C)cc(C)cc1C.Cc1cc(C)c(-c2nc3ccccc3n2C)c(C)c1.Cc1ccc(CNc2ccccc2N(C)C(=O)c2c(C)cc(C)cc2C)cc1.Cc1ccc(Cn2c(-c3c(C)cc(C)cc3C)[n+](C)c3ccccc32)cc1.Cc1ccc(Cn2c(-c3c(C)cc(C)cc3C)[n+](C)c3ccccc32)cc1.[OH-]
InChIInChI=1S/2C25H28N2O.2C25H27N2.C17H18N2.C2H6.H2O/c1-17-10-12-21(13-11-17)16-26-22-8-6-7-9-23(22)27(5)25(28)24-19(3)14-18(2)15-20(24)4;1-17-10-12-21(13-11-17)16-27(23-9-7-6-8-22(23)26-5)25(28)24-19(3)14-18(2)15-20(24)4;2*1-17-10-12-21(13-11-17)16-27-23-9-7-6-8-22(23)26(5)25(27)24-19(3)14-18(2)15-20(24)4;1-11-9-12(2)16(13(3)10-11)17-18-14-7-5-6-8-15(14)19(17)4;1-2;/h2*6-15,26H,16H2,1-5H3;2*6-15H,16H2,1-5H3;5-10H,1-4H3;1-2H3;1H2/q;;2*+1;;;/p-1
InChIKeyUAZZNQMVICIXKZ-UHFFFAOYSA-M
MW1753.46 g/mol
LogP27.46
Rot. Bonds17

About ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide

ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide (PubChem CID 162122143) has the molecular formula C119H135N10O3+ and a molecular weight of 1753.46 g/mol. Its IUPAC name is ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide.

Molecular Properties

Compound Nameethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide
PubChem CID162122143
Molecular FormulaC119H135N10O3+
Molecular Weight1753.46 g/mol
Exact Mass1752.07
IUPAC Nameethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide
SMILESCC.CNc1ccccc1N(Cc1ccc(C)cc1)C(=O)c1c(C)cc(C)cc1C.Cc1cc(C)c(-c2nc3ccccc3n2C)c(C)c1.Cc1ccc(CNc2ccccc2N(C)C(=O)c2c(C)cc(C)cc2C)cc1.Cc1ccc(Cn2c(-c3c(C)cc(C)cc3C)[n+](C)c3ccccc32)cc1.Cc1ccc(Cn2c(-c3c(C)cc(C)cc3C)[n+](C)c3ccccc32)cc1.[OH-]
InChIInChI=1S/2C25H28N2O.2C25H27N2.C17H18N2.C2H6.H2O/c1-17-10-12-21(13-11-17)16-26-22-8-6-7-9-23(22)27(5)25(28)24-19(3)14-18(2)15-20(24)4;1-17-10-12-21(13-11-17)16-27(23-9-7-6-8-22(23)26-5)25(28)24-19(3)14-18(2)15-20(24)4;2*1-17-10-12-21(13-11-17)16-27-23-9-7-6-8-22(23)26(5)25(27)24-19(3)14-18(2)15-20(24)4;1-11-9-12(2)16(13(3)10-11)17-18-14-7-5-6-8-15(14)19(17)4;1-2;/h2*6-15,26H,16H2,1-5H3;2*6-15H,16H2,1-5H3;5-10H,1-4H3;1-2H3;1H2/q;;2*+1;;;/p-1
InChIKeyUAZZNQMVICIXKZ-UHFFFAOYSA-M
XLogP27.46
TPSA130.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001753.46
LogP ≤ 527.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide?
The IUPAC name of ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide (CID 162122143) is ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide.
What is the SMILES notation for ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide?
The canonical SMILES for ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide is CC.CNc1ccccc1N(Cc1ccc(C)cc1)C(=O)c1c(C)cc(C)cc1C.Cc1cc(C)c(-c2nc3ccccc3n2C)c(C)c1.Cc1ccc(CNc2ccccc2N(C)C(=O)c2c(C)cc(C)cc2C)cc1.Cc1ccc(Cn2c(-c3c(C)cc(C)cc3C)[n+](C)c3ccccc32)cc1.Cc1ccc(Cn2c(-c3c(C)cc(C)cc3C)[n+](C)c3ccccc32)cc1.[OH-].
What is the InChIKey of ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide?
The InChIKey is UAZZNQMVICIXKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C25H28N2O.2C25H27N2.C17H18N2.C2H6.H2O/c1-17-10-12-21(13-11-17)16-26-22-8-6-7-9-23(22)27(5)25(28)24-19(3)14-18(2)15-20(24)4;1-17-10-12-21(13-11-17)16-27(23-9-7-6-8-22(23)26-5)25(28)24-19(3)14-18(2)15-20(24)4;2*1-17-10-12-21(13-11-17)16-27-23-9-7-6-8-22(23)26(5)25(27)24-19(3)14-18(2)15-20(24)4;1-11-9-12(2)16(13(3)10-11)17-18-14-7-5-6-8-15(14)19(17)4;1-2;/h2*6-15,26H,16H2,1-5H3;2*6-15H,16H2,1-5H3;5-10H,1-4H3;1-2H3;1H2/q;;2*+1;;;/p-1.
What are the key properties of ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide?
ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide has a molecular weight of 1753.46 g/mol, XLogP of 27.46, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-methyl-3-[(4-methylphenyl)methyl]-2-(2,4,6-trimethylphenyl)benzimidazol-1-ium);1-methyl-2-(2,4,6-trimethylphenyl)benzimidazole;N,2,4,6-tetramethyl-N-[2-[(4-methylphenyl)methylamino]phenyl]benzamide;2,4,6-trimethyl-N-[2-(methylamino)phenyl]-N-[(4-methylphenyl)methyl]benzamide;hydroxide is sourced from PubChem (CID 162122143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).