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

C17H16N4O4 — CID 73419926

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4O4/c1-11(17-19-12-6-2-3-7-13(12)20-17)18-16(22)10-25-15-9-5-4-8-14(15)21(23)24/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyXWEPNENVYQBVHN-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.73
Rot. Bonds6

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 73419926) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
PubChem CID73419926
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4O4/c1-11(17-19-12-6-2-3-7-13(12)20-17)18-16(22)10-25-15-9-5-4-8-14(15)21(23)24/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyXWEPNENVYQBVHN-UHFFFAOYSA-N
XLogP2.73
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 60592703
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
2-(2-nitrophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700556
2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 8700559
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide (CID 73419926) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide is CC(NC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is XWEPNENVYQBVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-11(17-19-12-6-2-3-7-13(12)20-17)18-16(22)10-25-15-9-5-4-8-14(15)21(23)24/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 340.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 73419926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).