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

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Related Compounds

1-(2,4-dimethylimidazol-1-yl)-N,N-dimethylmethanamine
CID 86259383
2-(2-chlorophenyl)-4-[(2,4-dimethylimidazol-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56748666
1-[[2-chloro-4-(cyclohexylmethyl)phenyl]methyl]-2,4-dimethylimidazole
CID 57043255
1-butyl-2,4-dimethylimidazole
CID 69009415
1-[(2,6-dichlorophenyl)methyl]-2-methyl-4-(1H-pyrazol-5-yl)imidazole
CID 2766537
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
1-(3-bromopropyl)-2,4-dimethylimidazole
CID 174851128
2,4-dimethyl-1-pentylimidazole
CID 134592157
1-benzyl-5-chloro-2-methylpyrimidin-4-one
CID 145173710
2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 82304935
1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106570211
1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173694

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).