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

C17H13Cl3N3O+ — CID 8856117

IUPAC2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESC=Cn1c[n+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H12Cl3N3O/c1-2-22-10-23(15-6-4-3-5-14(15)22)9-16(24)21-17-12(19)7-11(18)8-13(17)20/h2-8,10H,1,9H2/p+1
InChIKeyRCGHSDHLTXZBMS-UHFFFAOYSA-O
MW381.67 g/mol
LogP4.63
Rot. Bonds4

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

2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 8856117) has the molecular formula C17H13Cl3N3O+ and a molecular weight of 381.67 g/mol. Its IUPAC name is 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID8856117
Molecular FormulaC17H13Cl3N3O+
Molecular Weight381.67 g/mol
Exact Mass380.01
IUPAC Name2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESC=Cn1c[n+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H12Cl3N3O/c1-2-22-10-23(15-6-4-3-5-14(15)22)9-16(24)21-17-12(19)7-11(18)8-13(17)20/h2-8,10H,1,9H2/p+1
InChIKeyRCGHSDHLTXZBMS-UHFFFAOYSA-O
XLogP4.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.67
LogP ≤ 54.63
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

1-[2-(2,4-dichlorophenoxy)ethyl]-3-ethenylbenzimidazol-1-ium
CID 8855117
2-(2-hydroxyphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 62000709
2-(2-ethoxyphenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7613010
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-aminonaphthalene-2-carboxylate
CID 23904784
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-methylbenzoate
CID 7718015
2-(2-acetamidophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7867315
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862
5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
CID 103601704
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 6415284
2-(but-3-enoylamino)-3,5-dichlorobenzoic acid
CID 55103432
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
CID 112604411

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 8856117) is 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is C=Cn1c[n+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is RCGHSDHLTXZBMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H12Cl3N3O/c1-2-22-10-23(15-6-4-3-5-14(15)22)9-16(24)21-17-12(19)7-11(18)8-13(17)20/h2-8,10H,1,9H2/p+1.
What are the key properties of 2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 381.67 g/mol, XLogP of 4.63, 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-trichlorophenyl)acetamide is sourced from PubChem (CID 8856117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).