2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C20H22N3O+ — CID 8856281

IUPAC2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESC=Cn1c[n+](CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-5-22-13-23(18-9-7-6-8-17(18)22)12-19(24)21-20-15(3)10-14(2)11-16(20)4/h5-11,13H,1,12H2,2-4H3/p+1
InChIKeyQFDGCDGMQUGGCL-UHFFFAOYSA-O
MW320.42 g/mol
LogP3.59
Rot. Bonds4

About 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8856281) has the molecular formula C20H22N3O+ and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8856281
Molecular FormulaC20H22N3O+
Molecular Weight320.42 g/mol
Exact Mass320.18
IUPAC Name2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESC=Cn1c[n+](CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21
InChIInChI=1S/C20H21N3O/c1-5-22-13-23(18-9-7-6-8-17(18)22)12-19(24)21-20-15(3)10-14(2)11-16(20)4/h5-11,13H,1,12H2,2-4H3/p+1
InChIKeyQFDGCDGMQUGGCL-UHFFFAOYSA-O
XLogP3.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide
CID 8856143
N-(4,5-dimethyl-2-nitrophenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide
CID 8854588
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223
4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 8717688
2-[(2-methylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 108996565
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
butanedioic acid;2-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 3078512
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 8856281) is 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is C=Cn1c[n+](CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21.
What is the InChIKey of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QFDGCDGMQUGGCL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N3O/c1-5-22-13-23(18-9-7-6-8-17(18)22)12-19(24)21-20-15(3)10-14(2)11-16(20)4/h5-11,13H,1,12H2,2-4H3/p+1.
What are the key properties of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8856281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).