N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide

C17H16ClN3O2 — CID 43889769

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16ClN3O2/c1-11(17-20-14-4-2-3-5-15(14)21-17)19-16(22)10-23-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyHBTARINMUQNENT-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.47
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 43889769) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID43889769
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16ClN3O2/c1-11(17-20-14-4-2-3-5-15(14)21-17)19-16(22)10-23-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyHBTARINMUQNENT-UHFFFAOYSA-N
XLogP3.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 73419908
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 78806700
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 18116440
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 60592703

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide (CID 43889769) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide is CC(NC(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is HBTARINMUQNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11(17-20-14-4-2-3-5-15(14)21-17)19-16(22)10-23-13-8-6-12(18)7-9-13/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 43889769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).