1-(3-azidophenyl)-2-methylimidazole

C10H9N5 — CID 150915452

IUPAC1-(3-azidophenyl)-2-methylimidazole
SMILESCc1nccn1-c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C10H9N5/c1-8-12-5-6-15(8)10-4-2-3-9(7-10)13-14-11/h2-7H,1H3
InChIKeyLCWUZAYZKUMTGN-UHFFFAOYSA-N
MW199.22 g/mol
LogP3.12
Rot. Bonds2

About 1-(3-azidophenyl)-2-methylimidazole

1-(3-azidophenyl)-2-methylimidazole (PubChem CID 150915452) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(3-azidophenyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(3-azidophenyl)-2-methylimidazole
PubChem CID150915452
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name1-(3-azidophenyl)-2-methylimidazole
SMILESCc1nccn1-c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C10H9N5/c1-8-12-5-6-15(8)10-4-2-3-9(7-10)13-14-11/h2-7H,1H3
InChIKeyLCWUZAYZKUMTGN-UHFFFAOYSA-N
XLogP3.12
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 53.12
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'}

Analyze 1-(3-azidophenyl)-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidophenyl)-2-methylimidazole?
The IUPAC name of 1-(3-azidophenyl)-2-methylimidazole (CID 150915452) is 1-(3-azidophenyl)-2-methylimidazole.
What is the SMILES notation for 1-(3-azidophenyl)-2-methylimidazole?
The canonical SMILES for 1-(3-azidophenyl)-2-methylimidazole is Cc1nccn1-c1cccc(N=[N+]=[N-])c1.
What is the InChIKey of 1-(3-azidophenyl)-2-methylimidazole?
The InChIKey is LCWUZAYZKUMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-8-12-5-6-15(8)10-4-2-3-9(7-10)13-14-11/h2-7H,1H3.
What are the key properties of 1-(3-azidophenyl)-2-methylimidazole?
1-(3-azidophenyl)-2-methylimidazole has a molecular weight of 199.22 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidophenyl)-2-methylimidazole is sourced from PubChem (CID 150915452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).