4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole

C8H8ClF2N5 — CID 62400820

IUPAC4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole
SMILESFC(F)n1ccnc1Cn1cc(CCl)nn1
InChIInChI=1S/C8H8ClF2N5/c9-3-6-4-15(14-13-6)5-7-12-1-2-16(7)8(10)11/h1-2,4,8H,3,5H2
InChIKeyHDCJPMGVVUMHPJ-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.66
Rot. Bonds4

About 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole

4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole (PubChem CID 62400820) has the molecular formula C8H8ClF2N5 and a molecular weight of 247.64 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole
PubChem CID62400820
Molecular FormulaC8H8ClF2N5
Molecular Weight247.64 g/mol
Exact Mass247.04
IUPAC Name4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole
SMILESFC(F)n1ccnc1Cn1cc(CCl)nn1
InChIInChI=1S/C8H8ClF2N5/c9-3-6-4-15(14-13-6)5-7-12-1-2-16(7)8(10)11/h1-2,4,8H,3,5H2
InChIKeyHDCJPMGVVUMHPJ-UHFFFAOYSA-N
XLogP1.66
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole 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 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole?
The IUPAC name of 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole (CID 62400820) is 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole.
What is the SMILES notation for 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole?
The canonical SMILES for 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole is FC(F)n1ccnc1Cn1cc(CCl)nn1.
What is the InChIKey of 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole?
The InChIKey is HDCJPMGVVUMHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N5/c9-3-6-4-15(14-13-6)5-7-12-1-2-16(7)8(10)11/h1-2,4,8H,3,5H2.
What are the key properties of 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole?
4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole has a molecular weight of 247.64 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole is sourced from PubChem (CID 62400820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).