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

C17H16ClN3O2 — CID 649567

IUPACN-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-12(22)19-17-20-14-7-3-4-8-15(14)21(17)10-11-23-16-9-5-2-6-13(16)18/h2-9H,10-11H2,1H3,(H,19,20,22)
InChIKeyAPRMNRPQKUTJHA-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.73
Rot. Bonds5

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

N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide (PubChem CID 649567) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide
PubChem CID649567
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-12(22)19-17-20-14-7-3-4-8-15(14)21(17)10-11-23-16-9-5-2-6-13(16)18/h2-9H,10-11H2,1H3,(H,19,20,22)
InChIKeyAPRMNRPQKUTJHA-UHFFFAOYSA-N
XLogP3.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
CID 393988
N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451757
CID 139451790
CID 139451790
[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]methanol
CID 741502
1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 780983
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242
1-[2-(4-Fluoro-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 2759058
2-(phenoxymethyl)-1-(propan-2-yl)-1H-1,3-benzodiazole
CID 687914
2-((2,4-Dichlorophenoxy)methyl)-1H-benzimidazole
CID 18476
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 2066617
1-(1-Ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2998393
2-(4-chlorophenoxy)-N-{1-methyl-2-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-5-yl}acetamide
CID 666438

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide (CID 649567) is N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide?
The InChIKey is APRMNRPQKUTJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12(22)19-17-20-14-7-3-4-8-15(14)21(17)10-11-23-16-9-5-2-6-13(16)18/h2-9H,10-11H2,1H3,(H,19,20,22).
What are the key properties of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide?
N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 649567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).