2-azido-1-(1H-imidazol-2-yl)ethanol

C5H7N5O — CID 118532247

IUPAC2-azido-1-(1H-imidazol-2-yl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ncc[nH]1
InChIInChI=1S/C5H7N5O/c6-10-9-3-4(11)5-7-1-2-8-5/h1-2,4,11H,3H2,(H,7,8)
InChIKeyBJIRAIBAQJNENC-UHFFFAOYSA-N
MW153.15 g/mol
LogP0.75
Rot. Bonds3

About 2-azido-1-(1H-imidazol-2-yl)ethanol

2-azido-1-(1H-imidazol-2-yl)ethanol (PubChem CID 118532247) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is 2-azido-1-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-azido-1-(1H-imidazol-2-yl)ethanol
PubChem CID118532247
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name2-azido-1-(1H-imidazol-2-yl)ethanol
SMILES[N-]=[N+]=NCC(O)c1ncc[nH]1
InChIInChI=1S/C5H7N5O/c6-10-9-3-4(11)5-7-1-2-8-5/h1-2,4,11H,3H2,(H,7,8)
InChIKeyBJIRAIBAQJNENC-UHFFFAOYSA-N
XLogP0.75
TPSA97.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 2-azido-1-(1H-imidazol-2-yl)ethanol (CID 118532247) is 2-azido-1-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 2-azido-1-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 2-azido-1-(1H-imidazol-2-yl)ethanol is [N-]=[N+]=NCC(O)c1ncc[nH]1.
What is the InChIKey of 2-azido-1-(1H-imidazol-2-yl)ethanol?
The InChIKey is BJIRAIBAQJNENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c6-10-9-3-4(11)5-7-1-2-8-5/h1-2,4,11H,3H2,(H,7,8).
What are the key properties of 2-azido-1-(1H-imidazol-2-yl)ethanol?
2-azido-1-(1H-imidazol-2-yl)ethanol has a molecular weight of 153.15 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 118532247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).