2-(fluoromethyl)-1H-imidazole

C4H5FN2 — CID 12035259

IUPAC2-(fluoromethyl)-1H-imidazole
SMILESFCc1ncc[nH]1
InChIInChI=1S/C4H5FN2/c5-3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)
InChIKeyQMPSTEFUXBUTBT-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.88
Rot. Bonds1

About 2-(fluoromethyl)-1H-imidazole

2-(fluoromethyl)-1H-imidazole (PubChem CID 12035259) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(fluoromethyl)-1H-imidazole
PubChem CID12035259
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name2-(fluoromethyl)-1H-imidazole
SMILESFCc1ncc[nH]1
InChIInChI=1S/C4H5FN2/c5-3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)
InChIKeyQMPSTEFUXBUTBT-UHFFFAOYSA-N
XLogP0.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(fluoromethyl)-1H-imidazole 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 2-(fluoromethyl)-1H-imidazole?
The IUPAC name of 2-(fluoromethyl)-1H-imidazole (CID 12035259) is 2-(fluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(fluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(fluoromethyl)-1H-imidazole is FCc1ncc[nH]1.
What is the InChIKey of 2-(fluoromethyl)-1H-imidazole?
The InChIKey is QMPSTEFUXBUTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7).
What are the key properties of 2-(fluoromethyl)-1H-imidazole?
2-(fluoromethyl)-1H-imidazole has a molecular weight of 100.10 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1H-imidazole is sourced from PubChem (CID 12035259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).