ethanol;2-methyl-5-nitro-1H-imidazole

C6H11N3O3 — CID 22023722

IUPACethanol;2-methyl-5-nitro-1H-imidazole
SMILESCCO.Cc1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C4H5N3O2.C2H6O/c1-3-5-2-4(6-3)7(8)9;1-2-3/h2H,1H3,(H,5,6);3H,2H2,1H3
InChIKeyGHFKWVLHVPTUTB-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.62
Rot. Bonds1

About ethanol;2-methyl-5-nitro-1H-imidazole

ethanol;2-methyl-5-nitro-1H-imidazole (PubChem CID 22023722) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethanol;2-methyl-5-nitro-1H-imidazole.

Molecular Properties

Compound Nameethanol;2-methyl-5-nitro-1H-imidazole
PubChem CID22023722
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Nameethanol;2-methyl-5-nitro-1H-imidazole
SMILESCCO.Cc1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C4H5N3O2.C2H6O/c1-3-5-2-4(6-3)7(8)9;1-2-3/h2H,1H3,(H,5,6);3H,2H2,1H3
InChIKeyGHFKWVLHVPTUTB-UHFFFAOYSA-N
XLogP0.62
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.62
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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Frequently Asked Questions

What is the IUPAC name of ethanol;2-methyl-5-nitro-1H-imidazole?
The IUPAC name of ethanol;2-methyl-5-nitro-1H-imidazole (CID 22023722) is ethanol;2-methyl-5-nitro-1H-imidazole.
What is the SMILES notation for ethanol;2-methyl-5-nitro-1H-imidazole?
The canonical SMILES for ethanol;2-methyl-5-nitro-1H-imidazole is CCO.Cc1ncc([N+](=O)[O-])[nH]1.
What is the InChIKey of ethanol;2-methyl-5-nitro-1H-imidazole?
The InChIKey is GHFKWVLHVPTUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.C2H6O/c1-3-5-2-4(6-3)7(8)9;1-2-3/h2H,1H3,(H,5,6);3H,2H2,1H3.
What are the key properties of ethanol;2-methyl-5-nitro-1H-imidazole?
ethanol;2-methyl-5-nitro-1H-imidazole has a molecular weight of 173.17 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-methyl-5-nitro-1H-imidazole is sourced from PubChem (CID 22023722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).