2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide

C12H14N4O4 — CID 43890057

IUPAC2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C12H14N4O4/c1-7(13-11(17)6-20-2)12-14-9-4-3-8(16(18)19)5-10(9)15-12/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyLBKNZSJTJFJHJI-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.29
Rot. Bonds5

About 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide

2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 43890057) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID43890057
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C12H14N4O4/c1-7(13-11(17)6-20-2)12-14-9-4-3-8(16(18)19)5-10(9)15-12/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyLBKNZSJTJFJHJI-UHFFFAOYSA-N
XLogP1.29
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.29
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-methoxyacetamide
CID 3237629
2-nitro-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]benzamide
CID 43890079
N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]-2-phenylbutanamide
CID 43890089
1-O-methyl 4-O-[(1S)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] benzene-1,4-dicarboxylate
CID 1079145
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 73419926
1-(6-nitro-1H-benzimidazol-2-yl)ethyl hexadecanoate
CID 141392972
2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide
CID 43890127
N-(2-methoxyethyl)-6-nitro-1H-benzimidazol-2-amine
CID 78911169
2-[(1S)-1-(3-methylphenoxy)ethyl]-6-nitro-1H-benzimidazole
CID 96571449
2-(iodomethyl)-6-nitro-1H-benzimidazole
CID 119085279
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide (CID 43890057) is 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide is COCC(=O)NC(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is LBKNZSJTJFJHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-7(13-11(17)6-20-2)12-14-9-4-3-8(16(18)19)5-10(9)15-12/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 278.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 43890057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).