1-(3-ethoxy-2-nitrophenyl)imidazole

C11H11N3O3 — CID 113393200

IUPAC1-(3-ethoxy-2-nitrophenyl)imidazole
SMILESCCOc1cccc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-2-17-10-5-3-4-9(11(10)14(15)16)13-7-6-12-8-13/h3-8H,2H2,1H3
InChIKeyMGBZTVZCAKVHSD-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.18
Rot. Bonds4

About 1-(3-ethoxy-2-nitrophenyl)imidazole

1-(3-ethoxy-2-nitrophenyl)imidazole (PubChem CID 113393200) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(3-ethoxy-2-nitrophenyl)imidazole.

Molecular Properties

Compound Name1-(3-ethoxy-2-nitrophenyl)imidazole
PubChem CID113393200
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(3-ethoxy-2-nitrophenyl)imidazole
SMILESCCOc1cccc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-2-17-10-5-3-4-9(11(10)14(15)16)13-7-6-12-8-13/h3-8H,2H2,1H3
InChIKeyMGBZTVZCAKVHSD-UHFFFAOYSA-N
XLogP2.18
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.18
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-(3-ethoxy-2-nitrophenyl)imidazole?
The IUPAC name of 1-(3-ethoxy-2-nitrophenyl)imidazole (CID 113393200) is 1-(3-ethoxy-2-nitrophenyl)imidazole.
What is the SMILES notation for 1-(3-ethoxy-2-nitrophenyl)imidazole?
The canonical SMILES for 1-(3-ethoxy-2-nitrophenyl)imidazole is CCOc1cccc(-n2ccnc2)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-ethoxy-2-nitrophenyl)imidazole?
The InChIKey is MGBZTVZCAKVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-17-10-5-3-4-9(11(10)14(15)16)13-7-6-12-8-13/h3-8H,2H2,1H3.
What are the key properties of 1-(3-ethoxy-2-nitrophenyl)imidazole?
1-(3-ethoxy-2-nitrophenyl)imidazole has a molecular weight of 233.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-nitrophenyl)imidazole is sourced from PubChem (CID 113393200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).