2-(5-nitro-1H-imidazol-2-yl)octan-1-ol

C11H19N3O3 — CID 23373427

IUPAC2-(5-nitro-1H-imidazol-2-yl)octan-1-ol
SMILESCCCCCCC(CO)c1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H19N3O3/c1-2-3-4-5-6-9(8-15)11-12-7-10(13-11)14(16)17/h7,9,15H,2-6,8H2,1H3,(H,12,13)
InChIKeyIEUQNRMLHUSLTB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.36
Rot. Bonds8

About 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol

2-(5-nitro-1H-imidazol-2-yl)octan-1-ol (PubChem CID 23373427) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol.

Molecular Properties

Compound Name2-(5-nitro-1H-imidazol-2-yl)octan-1-ol
PubChem CID23373427
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(5-nitro-1H-imidazol-2-yl)octan-1-ol
SMILESCCCCCCC(CO)c1ncc([N+](=O)[O-])[nH]1
InChIInChI=1S/C11H19N3O3/c1-2-3-4-5-6-9(8-15)11-12-7-10(13-11)14(16)17/h7,9,15H,2-6,8H2,1H3,(H,12,13)
InChIKeyIEUQNRMLHUSLTB-UHFFFAOYSA-N
XLogP2.36
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-nitro-1H-imidazol-2-yl)octan-1-ol?
The IUPAC name of 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol (CID 23373427) is 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol.
What is the SMILES notation for 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol?
The canonical SMILES for 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol is CCCCCCC(CO)c1ncc([N+](=O)[O-])[nH]1.
What is the InChIKey of 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol?
The InChIKey is IEUQNRMLHUSLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-3-4-5-6-9(8-15)11-12-7-10(13-11)14(16)17/h7,9,15H,2-6,8H2,1H3,(H,12,13).
What are the key properties of 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol?
2-(5-nitro-1H-imidazol-2-yl)octan-1-ol has a molecular weight of 241.29 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-1H-imidazol-2-yl)octan-1-ol is sourced from PubChem (CID 23373427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).