1-(2-azidoethyl)-2-(ethoxymethyl)imidazole

C8H13N5O — CID 90813070

IUPAC1-(2-azidoethyl)-2-(ethoxymethyl)imidazole
SMILESCCOCc1nccn1CCN=[N+]=[N-]
InChIInChI=1S/C8H13N5O/c1-2-14-7-8-10-3-5-13(8)6-4-11-12-9/h3,5H,2,4,6-7H2,1H3
InChIKeyREUFHXSONPWMGY-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole

1-(2-azidoethyl)-2-(ethoxymethyl)imidazole (PubChem CID 90813070) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name1-(2-azidoethyl)-2-(ethoxymethyl)imidazole
PubChem CID90813070
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(2-azidoethyl)-2-(ethoxymethyl)imidazole
SMILESCCOCc1nccn1CCN=[N+]=[N-]
InChIInChI=1S/C8H13N5O/c1-2-14-7-8-10-3-5-13(8)6-4-11-12-9/h3,5H,2,4,6-7H2,1H3
InChIKeyREUFHXSONPWMGY-UHFFFAOYSA-N
XLogP1.73
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
CID 162702986
1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole
CID 143306337
1-[2-(2-bromo-5-fluorophenyl)ethyl]-2-(ethoxymethyl)imidazole
CID 167960468
2-(chloromethyl)-1-(ethoxymethyl)imidazole
CID 65369655
3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
CID 106938283
N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
CID 106937929
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627
2-(ethoxymethyl)-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazole
CID 141119885
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine
CID 57144402

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole?
The IUPAC name of 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole (CID 90813070) is 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole.
What is the SMILES notation for 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole?
The canonical SMILES for 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole is CCOCc1nccn1CCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole?
The InChIKey is REUFHXSONPWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-2-14-7-8-10-3-5-13(8)6-4-11-12-9/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole?
1-(2-azidoethyl)-2-(ethoxymethyl)imidazole has a molecular weight of 195.23 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-2-(ethoxymethyl)imidazole is sourced from PubChem (CID 90813070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).