5-fluoro-3-methyl-1,2-dihydroimidazole

C4H7FN2 — CID 146393161

IUPAC5-fluoro-3-methyl-1,2-dihydroimidazole
SMILESCN1C=C(F)NC1
InChIInChI=1S/C4H7FN2/c1-7-2-4(5)6-3-7/h2,6H,3H2,1H3
InChIKeyMZWRFOPRAZDMCE-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.25
Rot. Bonds

About 5-fluoro-3-methyl-1,2-dihydroimidazole

5-fluoro-3-methyl-1,2-dihydroimidazole (PubChem CID 146393161) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name5-fluoro-3-methyl-1,2-dihydroimidazole
PubChem CID146393161
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name5-fluoro-3-methyl-1,2-dihydroimidazole
SMILESCN1C=C(F)NC1
InChIInChI=1S/C4H7FN2/c1-7-2-4(5)6-3-7/h2,6H,3H2,1H3
InChIKeyMZWRFOPRAZDMCE-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1 h-imidazole
CID 5254862
3-Methyl-1,2-dihydroimidazol-2-amine
CID 44330796
2-Fluoro-3-methyl-1,2-dihydroimidazole
CID 44330797
2-fluoro-2,3-dihydro-1H-imidazole
CID 44330973
1,3-Dimethyl-1H-imidazolium iodide
CID 23618276
1-Ethenyl-3-methyl-1,2-dihydroimidazol-1-ium chloride
CID 53447165
2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
CID 67982634
3-Methyl-2-(trifluoromethyl)-1,2-dihydroimidazole
CID 89035645
3-Ethyl-1-methyl-1,2-dihydroimidazol-1-ium
CID 101098827
4-Fluoro-3-methyl-1,2-dihydroimidazole
CID 129171202
3-(Trifluoromethyl)-1,2-dihydroimidazole
CID 134263082
5-Fluoro-2,3-dimethyl-1,2-dihydroimidazole
CID 146392621

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1,2-dihydroimidazole?
The IUPAC name of 5-fluoro-3-methyl-1,2-dihydroimidazole (CID 146393161) is 5-fluoro-3-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 5-fluoro-3-methyl-1,2-dihydroimidazole?
The canonical SMILES for 5-fluoro-3-methyl-1,2-dihydroimidazole is CN1C=C(F)NC1.
What is the InChIKey of 5-fluoro-3-methyl-1,2-dihydroimidazole?
The InChIKey is MZWRFOPRAZDMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2/c1-7-2-4(5)6-3-7/h2,6H,3H2,1H3.
What are the key properties of 5-fluoro-3-methyl-1,2-dihydroimidazole?
5-fluoro-3-methyl-1,2-dihydroimidazole has a molecular weight of 102.11 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 146393161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).