2-(fluoromethyl)-1H-imidazole;hydrochloride

C4H6ClFN2 — CID 70625153

IUPAC2-(fluoromethyl)-1H-imidazole;hydrochloride
SMILESCl.FCc1ncc[nH]1
InChIInChI=1S/C4H5FN2.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3H2,(H,6,7);1H
InChIKeyKHIWMUVGPUBUBA-UHFFFAOYSA-N
MW136.56 g/mol
LogP1.30
Rot. Bonds1

About 2-(fluoromethyl)-1H-imidazole;hydrochloride

2-(fluoromethyl)-1H-imidazole;hydrochloride (PubChem CID 70625153) has the molecular formula C4H6ClFN2 and a molecular weight of 136.56 g/mol. Its IUPAC name is 2-(fluoromethyl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(fluoromethyl)-1H-imidazole;hydrochloride
PubChem CID70625153
Molecular FormulaC4H6ClFN2
Molecular Weight136.56 g/mol
Exact Mass136.02
IUPAC Name2-(fluoromethyl)-1H-imidazole;hydrochloride
SMILESCl.FCc1ncc[nH]1
InChIInChI=1S/C4H5FN2.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3H2,(H,6,7);1H
InChIKeyKHIWMUVGPUBUBA-UHFFFAOYSA-N
XLogP1.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.56
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(fluoromethyl)-1H-imidazole;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

ethane;2-ethyl-1H-imidazole
CID 144736598
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-ethyl-1H-imidazole;hexafluoroantimony(1-)
CID 175050777
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-ethyl-1H-imidazole;methanol
CID 176573862
2-(1H-imidazol-2-yl)ethanol
CID 15016080
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414
1-(1H-imidazol-2-yl)-N-iodomethanamine
CID 139514112
2-(1H-imidazol-2-yl)ethanol;hydrobromide
CID 175547099

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1H-imidazole;hydrochloride?
The IUPAC name of 2-(fluoromethyl)-1H-imidazole;hydrochloride (CID 70625153) is 2-(fluoromethyl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(fluoromethyl)-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(fluoromethyl)-1H-imidazole;hydrochloride is Cl.FCc1ncc[nH]1.
What is the InChIKey of 2-(fluoromethyl)-1H-imidazole;hydrochloride?
The InChIKey is KHIWMUVGPUBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3H2,(H,6,7);1H.
What are the key properties of 2-(fluoromethyl)-1H-imidazole;hydrochloride?
2-(fluoromethyl)-1H-imidazole;hydrochloride has a molecular weight of 136.56 g/mol, XLogP of 1.30, 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;hydrochloride is sourced from PubChem (CID 70625153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).