N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide

C7H10N4O3 — CID 135789702

IUPACN-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-5(12)8-3-2-6-7(11(13)14)10-4-9-6/h4H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKeyBBVQPISHWUGOHJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.00
Rot. Bonds4

About N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide

N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide (PubChem CID 135789702) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide
PubChem CID135789702
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-5(12)8-3-2-6-7(11(13)14)10-4-9-6/h4H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKeyBBVQPISHWUGOHJ-UHFFFAOYSA-N
XLogP-0.00
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 171384154
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Histamine, 5-nitro-N-trifluoroacetyl-
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1-methyl-4-nitro-5-imidazolylacetic acid N-butylamide
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2-(4-Nitro-1H-imidazol-5-yl)ethan-1-amine--hydrogen chloride (1/1)
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2-(5-Nitro-1h-imidazol-4-yl)-ethanamine
CID 135441538
3-(5-Ethyl-4-nitroimidazol-1-yl)propanamide
CID 68035208
4-Isopropyl-5-nitro-1H-imidazole
CID 135743686
4-ethyl-5-nitro-1H-imidazole
CID 144052326
2-(2-methyl-5-nitro-1H-imidazol-4-yl)ethanamine;hydrate;dihydrochloride
CID 173139971
N-[2-(1H-imidazol-5-yl)ethyl]-3-(4-nitroimidazol-1-yl)propanamide
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2-(3-Methyl-5-nitroimidazol-4-yl)ethanamine
CID 83873986

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide (CID 135789702) is N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide is CC(=O)NCCc1nc[nH]c1[N+](=O)[O-].
What is the InChIKey of N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide?
The InChIKey is BBVQPISHWUGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-5(12)8-3-2-6-7(11(13)14)10-4-9-6/h4H,2-3H2,1H3,(H,8,12)(H,9,10).
What are the key properties of N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide?
N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide has a molecular weight of 198.18 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 135789702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).