2,4-difluoro-5-methyl-1H-imidazole

C4H4F2N2 — CID 58058045

IUPAC2,4-difluoro-5-methyl-1H-imidazole
SMILESCc1[nH]c(F)nc1F
InChIInChI=1S/C4H4F2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChIKeyMXKVORJGQTXWQO-UHFFFAOYSA-N
MW118.09 g/mol
LogP1.00
Rot. Bonds

About 2,4-difluoro-5-methyl-1H-imidazole

2,4-difluoro-5-methyl-1H-imidazole (PubChem CID 58058045) has the molecular formula C4H4F2N2 and a molecular weight of 118.09 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-1H-imidazole
PubChem CID58058045
Molecular FormulaC4H4F2N2
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name2,4-difluoro-5-methyl-1H-imidazole
SMILESCc1[nH]c(F)nc1F
InChIInChI=1S/C4H4F2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChIKeyMXKVORJGQTXWQO-UHFFFAOYSA-N
XLogP1.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-1H-imidazole?
The IUPAC name of 2,4-difluoro-5-methyl-1H-imidazole (CID 58058045) is 2,4-difluoro-5-methyl-1H-imidazole.
What is the SMILES notation for 2,4-difluoro-5-methyl-1H-imidazole?
The canonical SMILES for 2,4-difluoro-5-methyl-1H-imidazole is Cc1[nH]c(F)nc1F.
What is the InChIKey of 2,4-difluoro-5-methyl-1H-imidazole?
The InChIKey is MXKVORJGQTXWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8).
What are the key properties of 2,4-difluoro-5-methyl-1H-imidazole?
2,4-difluoro-5-methyl-1H-imidazole has a molecular weight of 118.09 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-1H-imidazole is sourced from PubChem (CID 58058045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).