1-(4-azido-2-fluorophenyl)-2-methylimidazole

C10H8FN5 — CID 150220132

IUPAC1-(4-azido-2-fluorophenyl)-2-methylimidazole
SMILESCc1nccn1-c1ccc(N=[N+]=[N-])cc1F
InChIInChI=1S/C10H8FN5/c1-7-13-4-5-16(7)10-3-2-8(14-15-12)6-9(10)11/h2-6H,1H3
InChIKeyFTHOWASBUHXPHE-UHFFFAOYSA-N
MW217.21 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-azido-2-fluorophenyl)-2-methylimidazole

1-(4-azido-2-fluorophenyl)-2-methylimidazole (PubChem CID 150220132) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-(4-azido-2-fluorophenyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(4-azido-2-fluorophenyl)-2-methylimidazole
PubChem CID150220132
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name1-(4-azido-2-fluorophenyl)-2-methylimidazole
SMILESCc1nccn1-c1ccc(N=[N+]=[N-])cc1F
InChIInChI=1S/C10H8FN5/c1-7-13-4-5-16(7)10-3-2-8(14-15-12)6-9(10)11/h2-6H,1H3
InChIKeyFTHOWASBUHXPHE-UHFFFAOYSA-N
XLogP3.26
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 53.26
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-azido-2-fluorophenyl)-2-methylimidazole?
The IUPAC name of 1-(4-azido-2-fluorophenyl)-2-methylimidazole (CID 150220132) is 1-(4-azido-2-fluorophenyl)-2-methylimidazole.
What is the SMILES notation for 1-(4-azido-2-fluorophenyl)-2-methylimidazole?
The canonical SMILES for 1-(4-azido-2-fluorophenyl)-2-methylimidazole is Cc1nccn1-c1ccc(N=[N+]=[N-])cc1F.
What is the InChIKey of 1-(4-azido-2-fluorophenyl)-2-methylimidazole?
The InChIKey is FTHOWASBUHXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c1-7-13-4-5-16(7)10-3-2-8(14-15-12)6-9(10)11/h2-6H,1H3.
What are the key properties of 1-(4-azido-2-fluorophenyl)-2-methylimidazole?
1-(4-azido-2-fluorophenyl)-2-methylimidazole has a molecular weight of 217.21 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azido-2-fluorophenyl)-2-methylimidazole is sourced from PubChem (CID 150220132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).