4-nitro-1-phenylimidazole

C9H7N3O2 — CID 14906218

IUPAC4-nitro-1-phenylimidazole
SMILESO=[N+]([O-])c1cn(-c2ccccc2)cn1
InChIInChI=1S/C9H7N3O2/c13-12(14)9-6-11(7-10-9)8-4-2-1-3-5-8/h1-7H
InChIKeyUEGSGHUETRZQDI-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.78
Rot. Bonds2

About 4-nitro-1-phenylimidazole

4-nitro-1-phenylimidazole (PubChem CID 14906218) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-nitro-1-phenylimidazole.

Molecular Properties

Compound Name4-nitro-1-phenylimidazole
PubChem CID14906218
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-nitro-1-phenylimidazole
SMILESO=[N+]([O-])c1cn(-c2ccccc2)cn1
InChIInChI=1S/C9H7N3O2/c13-12(14)9-6-11(7-10-9)8-4-2-1-3-5-8/h1-7H
InChIKeyUEGSGHUETRZQDI-UHFFFAOYSA-N
XLogP1.78
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.78
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 4-nitro-1-phenylimidazole?
The IUPAC name of 4-nitro-1-phenylimidazole (CID 14906218) is 4-nitro-1-phenylimidazole.
What is the SMILES notation for 4-nitro-1-phenylimidazole?
The canonical SMILES for 4-nitro-1-phenylimidazole is O=[N+]([O-])c1cn(-c2ccccc2)cn1.
What is the InChIKey of 4-nitro-1-phenylimidazole?
The InChIKey is UEGSGHUETRZQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-12(14)9-6-11(7-10-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-nitro-1-phenylimidazole?
4-nitro-1-phenylimidazole has a molecular weight of 189.17 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-phenylimidazole is sourced from PubChem (CID 14906218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).