1-[(2,4-difluorophenyl)methyl]-4-methylimidazole

C11H10F2N2 — CID 130254978

IUPAC1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
SMILESCc1cn(Cc2ccc(F)cc2F)cn1
InChIInChI=1S/C11H10F2N2/c1-8-5-15(7-14-8)6-9-2-3-10(12)4-11(9)13/h2-5,7H,6H2,1H3
InChIKeyLBHPTLXEEQSZCO-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.52
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole

1-[(2,4-difluorophenyl)methyl]-4-methylimidazole (PubChem CID 130254978) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
PubChem CID130254978
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
SMILESCc1cn(Cc2ccc(F)cc2F)cn1
InChIInChI=1S/C11H10F2N2/c1-8-5-15(7-14-8)6-9-2-3-10(12)4-11(9)13/h2-5,7H,6H2,1H3
InChIKeyLBHPTLXEEQSZCO-UHFFFAOYSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460612
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
CID 19986378
1-[(2,4-difluorophenyl)methyl]-3-ethylpyrrole
CID 91455991
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454363
[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
CID 106717550
2-[(2,4-difluorophenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 125478207
2-[1-[(2-fluoro-4-methylphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460617
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
CID 141132122
1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
CID 106720781
4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
CID 155366804
1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359649

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole (CID 130254978) is 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole is Cc1cn(Cc2ccc(F)cc2F)cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole?
The InChIKey is LBHPTLXEEQSZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-8-5-15(7-14-8)6-9-2-3-10(12)4-11(9)13/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole?
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole has a molecular weight of 208.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-methylimidazole is sourced from PubChem (CID 130254978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).