N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide

C19H20N3O+ — CID 8856143

IUPACN-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide
SMILESC=Cn1c[n+](CC(=O)Nc2cc(C)cc(C)c2)c2ccccc21
InChIInChI=1S/C19H19N3O/c1-4-21-13-22(18-8-6-5-7-17(18)21)12-19(23)20-16-10-14(2)9-15(3)11-16/h4-11,13H,1,12H2,2-3H3/p+1
InChIKeyBACFNACTLGUXFF-UHFFFAOYSA-O
MW306.39 g/mol
LogP3.28
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide

N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide (PubChem CID 8856143) has the molecular formula C19H20N3O+ and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide
PubChem CID8856143
Molecular FormulaC19H20N3O+
Molecular Weight306.39 g/mol
Exact Mass306.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide
SMILESC=Cn1c[n+](CC(=O)Nc2cc(C)cc(C)c2)c2ccccc21
InChIInChI=1S/C19H19N3O/c1-4-21-13-22(18-8-6-5-7-17(18)21)12-19(23)20-16-10-14(2)9-15(3)11-16/h4-11,13H,1,12H2,2-3H3/p+1
InChIKeyBACFNACTLGUXFF-UHFFFAOYSA-O
XLogP3.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.28
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

2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8856281
2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 8856117
2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide iodide
CID 45053817
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-(3,5-dimethylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide
CID 3908814
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
1-[2-(3-bromophenoxy)ethyl]-3-ethenylbenzimidazol-1-ium
CID 8855115
[2-(3,5-dimethylanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509209

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide (CID 8856143) is N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide is C=Cn1c[n+](CC(=O)Nc2cc(C)cc(C)c2)c2ccccc21.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide?
The InChIKey is BACFNACTLGUXFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N3O/c1-4-21-13-22(18-8-6-5-7-17(18)21)12-19(23)20-16-10-14(2)9-15(3)11-16/h4-11,13H,1,12H2,2-3H3/p+1.
What are the key properties of N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)acetamide is sourced from PubChem (CID 8856143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).