2-(4-nitrophenoxy)-1H-imidazole

C9H7N3O3 — CID 123256128

IUPAC2-(4-nitrophenoxy)-1H-imidazole
SMILESO=[N+]([O-])c1ccc(Oc2ncc[nH]2)cc1
InChIInChI=1S/C9H7N3O3/c13-12(14)7-1-3-8(4-2-7)15-9-10-5-6-11-9/h1-6H,(H,10,11)
InChIKeyBMLNMYQDVCYPMU-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-nitrophenoxy)-1H-imidazole

2-(4-nitrophenoxy)-1H-imidazole (PubChem CID 123256128) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-1H-imidazole.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-1H-imidazole
PubChem CID123256128
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-(4-nitrophenoxy)-1H-imidazole
SMILESO=[N+]([O-])c1ccc(Oc2ncc[nH]2)cc1
InChIInChI=1S/C9H7N3O3/c13-12(14)7-1-3-8(4-2-7)15-9-10-5-6-11-9/h1-6H,(H,10,11)
InChIKeyBMLNMYQDVCYPMU-UHFFFAOYSA-N
XLogP2.11
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
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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Related Compounds

5-(4-nitrophenoxy)pyridine-2-carbonitrile
CID 115487944
2-[(4-nitrophenyl)methyl]-1H-imidazole;hydrochloride
CID 131874324
CID 153008841
CID 153008841
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
2-fluoro-4-(4-nitrophenoxy)pyrimidine
CID 133055231
N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
CID 136990849
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
N-(1H-imidazol-2-ylmethyl)-1-(4-nitrophenyl)methanamine
CID 23079310
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one
CID 22936880
[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-1H-imidazole?
The IUPAC name of 2-(4-nitrophenoxy)-1H-imidazole (CID 123256128) is 2-(4-nitrophenoxy)-1H-imidazole.
What is the SMILES notation for 2-(4-nitrophenoxy)-1H-imidazole?
The canonical SMILES for 2-(4-nitrophenoxy)-1H-imidazole is O=[N+]([O-])c1ccc(Oc2ncc[nH]2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-1H-imidazole?
The InChIKey is BMLNMYQDVCYPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-12(14)7-1-3-8(4-2-7)15-9-10-5-6-11-9/h1-6H,(H,10,11).
What are the key properties of 2-(4-nitrophenoxy)-1H-imidazole?
2-(4-nitrophenoxy)-1H-imidazole has a molecular weight of 205.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-1H-imidazole is sourced from PubChem (CID 123256128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).