2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol

C6H11N3O3 — CID 122529095

IUPAC2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol
SMILESCN1C=C([N+](=O)[O-])N(CCO)C1
InChIInChI=1S/C6H11N3O3/c1-7-4-6(9(11)12)8(5-7)2-3-10/h4,10H,2-3,5H2,1H3
InChIKeyLAFKJOOLIQEVKN-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.74
Rot. Bonds3

About 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol

2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol (PubChem CID 122529095) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol
PubChem CID122529095
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol
SMILESCN1C=C([N+](=O)[O-])N(CCO)C1
InChIInChI=1S/C6H11N3O3/c1-7-4-6(9(11)12)8(5-7)2-3-10/h4,10H,2-3,5H2,1H3
InChIKeyLAFKJOOLIQEVKN-UHFFFAOYSA-N
XLogP-0.74
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol?
The IUPAC name of 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol (CID 122529095) is 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol?
The canonical SMILES for 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol is CN1C=C([N+](=O)[O-])N(CCO)C1.
What is the InChIKey of 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol?
The InChIKey is LAFKJOOLIQEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-7-4-6(9(11)12)8(5-7)2-3-10/h4,10H,2-3,5H2,1H3.
What are the key properties of 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol?
2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol has a molecular weight of 173.17 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-nitro-2H-imidazol-1-yl)ethanol is sourced from PubChem (CID 122529095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).