1-[2-(3-nitrophenoxy)ethyl]imidazole

C11H11N3O3 — CID 2995961

IUPAC1-[2-(3-nitrophenoxy)ethyl]imidazole
SMILESO=[N+]([O-])c1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H11N3O3/c15-14(16)10-2-1-3-11(8-10)17-7-6-13-5-4-12-9-13/h1-5,8-9H,6-7H2
InChIKeyWITOOSRPFRQFRJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(3-nitrophenoxy)ethyl]imidazole

1-[2-(3-nitrophenoxy)ethyl]imidazole (PubChem CID 2995961) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[2-(3-nitrophenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(3-nitrophenoxy)ethyl]imidazole
PubChem CID2995961
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-[2-(3-nitrophenoxy)ethyl]imidazole
SMILESO=[N+]([O-])c1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H11N3O3/c15-14(16)10-2-1-3-11(8-10)17-7-6-13-5-4-12-9-13/h1-5,8-9H,6-7H2
InChIKeyWITOOSRPFRQFRJ-UHFFFAOYSA-N
XLogP1.87
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
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 1-[2-(3-nitrophenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(3-nitrophenoxy)ethyl]imidazole (CID 2995961) is 1-[2-(3-nitrophenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(3-nitrophenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(3-nitrophenoxy)ethyl]imidazole is O=[N+]([O-])c1cccc(OCCn2ccnc2)c1.
What is the InChIKey of 1-[2-(3-nitrophenoxy)ethyl]imidazole?
The InChIKey is WITOOSRPFRQFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-14(16)10-2-1-3-11(8-10)17-7-6-13-5-4-12-9-13/h1-5,8-9H,6-7H2.
What are the key properties of 1-[2-(3-nitrophenoxy)ethyl]imidazole?
1-[2-(3-nitrophenoxy)ethyl]imidazole has a molecular weight of 233.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-nitrophenoxy)ethyl]imidazole is sourced from PubChem (CID 2995961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).