4-chloro-2-fluoro-5-methyl-1H-imidazole

C4H4ClFN2 — CID 138494865

IUPAC4-chloro-2-fluoro-5-methyl-1H-imidazole
SMILESCc1[nH]c(F)nc1Cl
InChIInChI=1S/C4H4ClFN2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChIKeyFEGVCOZBXROWDP-UHFFFAOYSA-N
MW134.54 g/mol
LogP1.51
Rot. Bonds

About 4-chloro-2-fluoro-5-methyl-1H-imidazole

4-chloro-2-fluoro-5-methyl-1H-imidazole (PubChem CID 138494865) has the molecular formula C4H4ClFN2 and a molecular weight of 134.54 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-methyl-1H-imidazole
PubChem CID138494865
Molecular FormulaC4H4ClFN2
Molecular Weight134.54 g/mol
Exact Mass134.00
IUPAC Name4-chloro-2-fluoro-5-methyl-1H-imidazole
SMILESCc1[nH]c(F)nc1Cl
InChIInChI=1S/C4H4ClFN2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChIKeyFEGVCOZBXROWDP-UHFFFAOYSA-N
XLogP1.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.54
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-methyl-1H-imidazole?
The IUPAC name of 4-chloro-2-fluoro-5-methyl-1H-imidazole (CID 138494865) is 4-chloro-2-fluoro-5-methyl-1H-imidazole.
What is the SMILES notation for 4-chloro-2-fluoro-5-methyl-1H-imidazole?
The canonical SMILES for 4-chloro-2-fluoro-5-methyl-1H-imidazole is Cc1[nH]c(F)nc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-methyl-1H-imidazole?
The InChIKey is FEGVCOZBXROWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8).
What are the key properties of 4-chloro-2-fluoro-5-methyl-1H-imidazole?
4-chloro-2-fluoro-5-methyl-1H-imidazole has a molecular weight of 134.54 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-methyl-1H-imidazole is sourced from PubChem (CID 138494865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).