nitric acid;2-phenyl-1H-imidazole

C9H9N3O3 — CID 175386038

IUPACnitric acid;2-phenyl-1H-imidazole
SMILESO=[N+]([O-])O.c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H8N2.HNO3/c1-2-4-8(5-3-1)9-10-6-7-11-9;2-1(3)4/h1-7H,(H,10,11);(H,2,3,4)
InChIKeyLXJTYYHGADPPOR-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.73
Rot. Bonds1

About nitric acid;2-phenyl-1H-imidazole

nitric acid;2-phenyl-1H-imidazole (PubChem CID 175386038) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is nitric acid;2-phenyl-1H-imidazole.

Molecular Properties

Compound Namenitric acid;2-phenyl-1H-imidazole
PubChem CID175386038
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Namenitric acid;2-phenyl-1H-imidazole
SMILESO=[N+]([O-])O.c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H8N2.HNO3/c1-2-4-8(5-3-1)9-10-6-7-11-9;2-1(3)4/h1-7H,(H,10,11);(H,2,3,4)
InChIKeyLXJTYYHGADPPOR-UHFFFAOYSA-N
XLogP1.73
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 nitric acid;2-phenyl-1H-imidazole?
The IUPAC name of nitric acid;2-phenyl-1H-imidazole (CID 175386038) is nitric acid;2-phenyl-1H-imidazole.
What is the SMILES notation for nitric acid;2-phenyl-1H-imidazole?
The canonical SMILES for nitric acid;2-phenyl-1H-imidazole is O=[N+]([O-])O.c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of nitric acid;2-phenyl-1H-imidazole?
The InChIKey is LXJTYYHGADPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.HNO3/c1-2-4-8(5-3-1)9-10-6-7-11-9;2-1(3)4/h1-7H,(H,10,11);(H,2,3,4).
What are the key properties of nitric acid;2-phenyl-1H-imidazole?
nitric acid;2-phenyl-1H-imidazole has a molecular weight of 207.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2-phenyl-1H-imidazole is sourced from PubChem (CID 175386038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).