5-fluoro-1,4-dimethylimidazole

C5H7FN2 — CID 129033127

IUPAC5-fluoro-1,4-dimethylimidazole
SMILESCc1ncn(C)c1F
InChIInChI=1S/C5H7FN2/c1-4-5(6)8(2)3-7-4/h3H,1-2H3
InChIKeyNHDGRDMKSACPRX-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.87
Rot. Bonds

About 5-fluoro-1,4-dimethylimidazole

5-fluoro-1,4-dimethylimidazole (PubChem CID 129033127) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 5-fluoro-1,4-dimethylimidazole.

Molecular Properties

Compound Name5-fluoro-1,4-dimethylimidazole
PubChem CID129033127
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name5-fluoro-1,4-dimethylimidazole
SMILESCc1ncn(C)c1F
InChIInChI=1S/C5H7FN2/c1-4-5(6)8(2)3-7-4/h3H,1-2H3
InChIKeyNHDGRDMKSACPRX-UHFFFAOYSA-N
XLogP0.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-dimethylimidazole?
The IUPAC name of 5-fluoro-1,4-dimethylimidazole (CID 129033127) is 5-fluoro-1,4-dimethylimidazole.
What is the SMILES notation for 5-fluoro-1,4-dimethylimidazole?
The canonical SMILES for 5-fluoro-1,4-dimethylimidazole is Cc1ncn(C)c1F.
What is the InChIKey of 5-fluoro-1,4-dimethylimidazole?
The InChIKey is NHDGRDMKSACPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-4-5(6)8(2)3-7-4/h3H,1-2H3.
What are the key properties of 5-fluoro-1,4-dimethylimidazole?
5-fluoro-1,4-dimethylimidazole has a molecular weight of 114.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4-dimethylimidazole is sourced from PubChem (CID 129033127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).