1-[4-(azidomethyl)phenyl]imidazole

C10H9N5 — CID 59667405

IUPAC1-[4-(azidomethyl)phenyl]imidazole
SMILES[N-]=[N+]=NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H9N5/c11-14-13-7-9-1-3-10(4-2-9)15-6-5-12-8-15/h1-6,8H,7H2
InChIKeyZFIHNUBAQCSRLZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.68
Rot. Bonds3

About 1-[4-(azidomethyl)phenyl]imidazole

1-[4-(azidomethyl)phenyl]imidazole (PubChem CID 59667405) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-[4-(azidomethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(azidomethyl)phenyl]imidazole
PubChem CID59667405
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name1-[4-(azidomethyl)phenyl]imidazole
SMILES[N-]=[N+]=NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H9N5/c11-14-13-7-9-1-3-10(4-2-9)15-6-5-12-8-15/h1-6,8H,7H2
InChIKeyZFIHNUBAQCSRLZ-UHFFFAOYSA-N
XLogP2.68
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 1-[4-(azidomethyl)phenyl]imidazole?
The IUPAC name of 1-[4-(azidomethyl)phenyl]imidazole (CID 59667405) is 1-[4-(azidomethyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(azidomethyl)phenyl]imidazole?
The canonical SMILES for 1-[4-(azidomethyl)phenyl]imidazole is [N-]=[N+]=NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[4-(azidomethyl)phenyl]imidazole?
The InChIKey is ZFIHNUBAQCSRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-14-13-7-9-1-3-10(4-2-9)15-6-5-12-8-15/h1-6,8H,7H2.
What are the key properties of 1-[4-(azidomethyl)phenyl]imidazole?
1-[4-(azidomethyl)phenyl]imidazole has a molecular weight of 199.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azidomethyl)phenyl]imidazole is sourced from PubChem (CID 59667405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).