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

C18H16N4O2 — CID 60592703

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16N4O2/c1-12(18-21-14-7-3-4-8-15(14)22-18)20-17(23)11-24-16-9-5-2-6-13(16)10-19/h2-9,12H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZILRIPVQHCFTIM-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.69
Rot. Bonds5

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 60592703) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
PubChem CID60592703
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16N4O2/c1-12(18-21-14-7-3-4-8-15(14)22-18)20-17(23)11-24-16-9-5-2-6-13(16)10-19/h2-9,12H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZILRIPVQHCFTIM-UHFFFAOYSA-N
XLogP2.69
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 73419926
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18116332
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 18116440
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 73419908
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide (CID 60592703) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide is CC(NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is ZILRIPVQHCFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(18-21-14-7-3-4-8-15(14)22-18)20-17(23)11-24-16-9-5-2-6-13(16)10-19/h2-9,12H,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 320.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 60592703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).