1-(4-ethoxyphenyl)imidazole;nitric acid

C11H13N3O4 — CID 24839007

IUPAC1-(4-ethoxyphenyl)imidazole;nitric acid
SMILESCCOc1ccc(-n2ccnc2)cc1.O=[N+]([O-])O
InChIInChI=1S/C11H12N2O.HNO3/c1-2-14-11-5-3-10(4-6-11)13-8-7-12-9-13;2-1(3)4/h3-9H,2H2,1H3;(H,2,3,4)
InChIKeyMALSSTVOHSSZDK-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-ethoxyphenyl)imidazole;nitric acid

1-(4-ethoxyphenyl)imidazole;nitric acid (PubChem CID 24839007) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)imidazole;nitric acid.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)imidazole;nitric acid
PubChem CID24839007
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-(4-ethoxyphenyl)imidazole;nitric acid
SMILESCCOc1ccc(-n2ccnc2)cc1.O=[N+]([O-])O
InChIInChI=1S/C11H12N2O.HNO3/c1-2-14-11-5-3-10(4-6-11)13-8-7-12-9-13;2-1(3)4/h3-9H,2H2,1H3;(H,2,3,4)
InChIKeyMALSSTVOHSSZDK-UHFFFAOYSA-N
XLogP1.92
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
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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Related Compounds

4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide
CID 37239017
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
(4-imidazol-1-ylphenyl) acetate
CID 594823
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CID 6056611
1-[4-[(2S)-3,3-dimethyl-2-(3-nitrophenyl)butoxy]phenyl]imidazole
CID 91469636
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
CID 47083356
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900
1-(3-ethoxy-2-nitrophenyl)imidazole
CID 113393200

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)imidazole;nitric acid?
The IUPAC name of 1-(4-ethoxyphenyl)imidazole;nitric acid (CID 24839007) is 1-(4-ethoxyphenyl)imidazole;nitric acid.
What is the SMILES notation for 1-(4-ethoxyphenyl)imidazole;nitric acid?
The canonical SMILES for 1-(4-ethoxyphenyl)imidazole;nitric acid is CCOc1ccc(-n2ccnc2)cc1.O=[N+]([O-])O.
What is the InChIKey of 1-(4-ethoxyphenyl)imidazole;nitric acid?
The InChIKey is MALSSTVOHSSZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.HNO3/c1-2-14-11-5-3-10(4-6-11)13-8-7-12-9-13;2-1(3)4/h3-9H,2H2,1H3;(H,2,3,4).
What are the key properties of 1-(4-ethoxyphenyl)imidazole;nitric acid?
1-(4-ethoxyphenyl)imidazole;nitric acid has a molecular weight of 251.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)imidazole;nitric acid is sourced from PubChem (CID 24839007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).