1-(2-bromo-4-nitrophenyl)imidazole

C9H6BrN3O2 — CID 1475101

IUPAC1-(2-bromo-4-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1ccc(-n2ccnc2)c(Br)c1
InChIInChI=1S/C9H6BrN3O2/c10-8-5-7(13(14)15)1-2-9(8)12-4-3-11-6-12/h1-6H
InChIKeyIMVBYJRSYIKNJE-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-bromo-4-nitrophenyl)imidazole

1-(2-bromo-4-nitrophenyl)imidazole (PubChem CID 1475101) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 1-(2-bromo-4-nitrophenyl)imidazole.

Molecular Properties

Compound Name1-(2-bromo-4-nitrophenyl)imidazole
PubChem CID1475101
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC Name1-(2-bromo-4-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1ccc(-n2ccnc2)c(Br)c1
InChIInChI=1S/C9H6BrN3O2/c10-8-5-7(13(14)15)1-2-9(8)12-4-3-11-6-12/h1-6H
InChIKeyIMVBYJRSYIKNJE-UHFFFAOYSA-N
XLogP2.54
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.54
H-Bond Donors ≤ 50
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 1-(2-bromo-4-nitrophenyl)imidazole?
The IUPAC name of 1-(2-bromo-4-nitrophenyl)imidazole (CID 1475101) is 1-(2-bromo-4-nitrophenyl)imidazole.
What is the SMILES notation for 1-(2-bromo-4-nitrophenyl)imidazole?
The canonical SMILES for 1-(2-bromo-4-nitrophenyl)imidazole is O=[N+]([O-])c1ccc(-n2ccnc2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-nitrophenyl)imidazole?
The InChIKey is IMVBYJRSYIKNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2/c10-8-5-7(13(14)15)1-2-9(8)12-4-3-11-6-12/h1-6H.
What are the key properties of 1-(2-bromo-4-nitrophenyl)imidazole?
1-(2-bromo-4-nitrophenyl)imidazole has a molecular weight of 268.07 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-nitrophenyl)imidazole is sourced from PubChem (CID 1475101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).