N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

C20H22ClN3O3 — CID 16969212

IUPACN-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-14(22-19(25)13-26-2)20-23-16-8-4-5-9-17(16)24(20)11-12-27-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyLIBOVJIBUCTBDK-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.59
Rot. Bonds8

About N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (PubChem CID 16969212) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
PubChem CID16969212
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-14(22-19(25)13-26-2)20-23-16-8-4-5-9-17(16)24(20)11-12-27-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyLIBOVJIBUCTBDK-UHFFFAOYSA-N
XLogP3.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969225
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973237
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970511
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966746
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969257
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969701
3-chloro-N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010465
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619685
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (CID 16969212) is N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is COCC(=O)NC(C)c1nc2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The InChIKey is LIBOVJIBUCTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14(22-19(25)13-26-2)20-23-16-8-4-5-9-17(16)24(20)11-12-27-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide has a molecular weight of 387.87 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 16969212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).