[1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol

C10H8FN5O — CID 58758344

IUPAC[1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol
SMILES[N-]=[N+]=Nc1ccc(-n2cnc(CO)c2)c(F)c1
InChIInChI=1S/C10H8FN5O/c11-9-3-7(14-15-12)1-2-10(9)16-4-8(5-17)13-6-16/h1-4,6,17H,5H2
InChIKeyVXOVOXPOHILFFG-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.45
Rot. Bonds3

About [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol

[1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol (PubChem CID 58758344) has the molecular formula C10H8FN5O and a molecular weight of 233.21 g/mol. Its IUPAC name is [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol
PubChem CID58758344
Molecular FormulaC10H8FN5O
Molecular Weight233.21 g/mol
Exact Mass233.07
IUPAC Name[1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol
SMILES[N-]=[N+]=Nc1ccc(-n2cnc(CO)c2)c(F)c1
InChIInChI=1S/C10H8FN5O/c11-9-3-7(14-15-12)1-2-10(9)16-4-8(5-17)13-6-16/h1-4,6,17H,5H2
InChIKeyVXOVOXPOHILFFG-UHFFFAOYSA-N
XLogP2.45
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol?
The IUPAC name of [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol (CID 58758344) is [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol is [N-]=[N+]=Nc1ccc(-n2cnc(CO)c2)c(F)c1.
What is the InChIKey of [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol?
The InChIKey is VXOVOXPOHILFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O/c11-9-3-7(14-15-12)1-2-10(9)16-4-8(5-17)13-6-16/h1-4,6,17H,5H2.
What are the key properties of [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol?
[1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol has a molecular weight of 233.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 58758344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).