2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide

C17H15Cl2N3O2 — CID 86808879

IUPAC2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide
SMILESCCONC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21
InChIInChI=1S/C17H15Cl2N3O2/c1-2-24-21-15(23)10-22-14-9-4-3-8-13(14)20-17(22)11-6-5-7-12(18)16(11)19/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyZIRLNEZTSYHPQS-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.08
Rot. Bonds5

About 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide

2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide (PubChem CID 86808879) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide
PubChem CID86808879
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide
SMILESCCONC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21
InChIInChI=1S/C17H15Cl2N3O2/c1-2-24-21-15(23)10-22-14-9-4-3-8-13(14)20-17(22)11-6-5-7-12(18)16(11)19/h3-9H,2,10H2,1H3,(H,21,23)
InChIKeyZIRLNEZTSYHPQS-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 71886350
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid
CID 155737900
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide (CID 86808879) is 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide is CCONC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide?
The InChIKey is ZIRLNEZTSYHPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-2-24-21-15(23)10-22-14-9-4-3-8-13(14)20-17(22)11-6-5-7-12(18)16(11)19/h3-9H,2,10H2,1H3,(H,21,23).
What are the key properties of 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide?
2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide has a molecular weight of 364.23 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide is sourced from PubChem (CID 86808879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).