2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole

C12H11Cl3N2 — CID 57190559

IUPAC2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole
SMILESCc1cn(Cc2c(Cl)cc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C12H11Cl3N2/c1-7-5-17(8(2)16-7)6-10-11(14)3-9(13)4-12(10)15/h3-5H,6H2,1-2H3
InChIKeyUKJAXGIFUXBZLE-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.51
Rot. Bonds2

About 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole

2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole (PubChem CID 57190559) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole
PubChem CID57190559
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole
SMILESCc1cn(Cc2c(Cl)cc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C12H11Cl3N2/c1-7-5-17(8(2)16-7)6-10-11(14)3-9(13)4-12(10)15/h3-5H,6H2,1-2H3
InChIKeyUKJAXGIFUXBZLE-UHFFFAOYSA-N
XLogP4.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]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 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole?
The IUPAC name of 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole (CID 57190559) is 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole.
What is the SMILES notation for 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole?
The canonical SMILES for 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole is Cc1cn(Cc2c(Cl)cc(Cl)cc2Cl)c(C)n1.
What is the InChIKey of 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole?
The InChIKey is UKJAXGIFUXBZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2/c1-7-5-17(8(2)16-7)6-10-11(14)3-9(13)4-12(10)15/h3-5H,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole?
2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole has a molecular weight of 289.59 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole is sourced from PubChem (CID 57190559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).