5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole

C6H6ClF3N2 — CID 66149167

IUPAC5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1cncc1CCl
InChIInChI=1S/C6H6ClF3N2/c7-1-5-2-11-4-12(5)3-6(8,9)10/h2,4H,1,3H2
InChIKeyIFJSRTQAEOLOSD-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.18
Rot. Bonds2

About 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole

5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 66149167) has the molecular formula C6H6ClF3N2 and a molecular weight of 198.58 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID66149167
Molecular FormulaC6H6ClF3N2
Molecular Weight198.58 g/mol
Exact Mass198.02
IUPAC Name5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1cncc1CCl
InChIInChI=1S/C6H6ClF3N2/c7-1-5-2-11-4-12(5)3-6(8,9)10/h2,4H,1,3H2
InChIKeyIFJSRTQAEOLOSD-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole 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

5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
methyl 2-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methylamino]acetate
CID 178144000
2-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]-1H-pyrazol-2-ium-4-amine
CID 169172581
5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
CID 66149387
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
5-(chloromethyl)-1-[2-(3,5-difluorophenyl)ethyl]imidazole
CID 66149176
5-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 18670887
5-(chloromethyl)-1-decylimidazole
CID 18670803
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 175885239
5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride
CID 18410175
5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
CID 18673584

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole (CID 66149167) is 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole is FC(F)(F)Cn1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is IFJSRTQAEOLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2/c7-1-5-2-11-4-12(5)3-6(8,9)10/h2,4H,1,3H2.
What are the key properties of 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 198.58 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 66149167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).