4-fluoro-5-methyl-1-propylimidazole

C7H11FN2 — CID 155204937

IUPAC4-fluoro-5-methyl-1-propylimidazole
SMILESCCCn1cnc(F)c1C
InChIInChI=1S/C7H11FN2/c1-3-4-10-5-9-7(8)6(10)2/h5H,3-4H2,1-2H3
InChIKeyGGLJYWQYWPLPGE-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.74
Rot. Bonds2

About 4-fluoro-5-methyl-1-propylimidazole

4-fluoro-5-methyl-1-propylimidazole (PubChem CID 155204937) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-propylimidazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-propylimidazole
PubChem CID155204937
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name4-fluoro-5-methyl-1-propylimidazole
SMILESCCCn1cnc(F)c1C
InChIInChI=1S/C7H11FN2/c1-3-4-10-5-9-7(8)6(10)2/h5H,3-4H2,1-2H3
InChIKeyGGLJYWQYWPLPGE-UHFFFAOYSA-N
XLogP1.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-propylimidazole?
The IUPAC name of 4-fluoro-5-methyl-1-propylimidazole (CID 155204937) is 4-fluoro-5-methyl-1-propylimidazole.
What is the SMILES notation for 4-fluoro-5-methyl-1-propylimidazole?
The canonical SMILES for 4-fluoro-5-methyl-1-propylimidazole is CCCn1cnc(F)c1C.
What is the InChIKey of 4-fluoro-5-methyl-1-propylimidazole?
The InChIKey is GGLJYWQYWPLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-3-4-10-5-9-7(8)6(10)2/h5H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-5-methyl-1-propylimidazole?
4-fluoro-5-methyl-1-propylimidazole has a molecular weight of 142.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-propylimidazole is sourced from PubChem (CID 155204937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).