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

C5H9FN2 — CID 146392621

IUPAC5-fluoro-2,3-dimethyl-1,2-dihydroimidazole
SMILESCC1NC(F)=CN1C
InChIInChI=1S/C5H9FN2/c1-4-7-5(6)3-8(4)2/h3-4,7H,1-2H3
InChIKeyAGIZZZYPCRMADZ-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.64
Rot. Bonds

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

5-fluoro-2,3-dimethyl-1,2-dihydroimidazole (PubChem CID 146392621) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name5-fluoro-2,3-dimethyl-1,2-dihydroimidazole
PubChem CID146392621
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name5-fluoro-2,3-dimethyl-1,2-dihydroimidazole
SMILESCC1NC(F)=CN1C
InChIInChI=1S/C5H9FN2/c1-4-7-5(6)3-8(4)2/h3-4,7H,1-2H3
InChIKeyAGIZZZYPCRMADZ-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole?
The IUPAC name of 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole (CID 146392621) is 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole.
What is the SMILES notation for 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole?
The canonical SMILES for 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole is CC1NC(F)=CN1C.
What is the InChIKey of 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole?
The InChIKey is AGIZZZYPCRMADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-4-7-5(6)3-8(4)2/h3-4,7H,1-2H3.
What are the key properties of 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole?
5-fluoro-2,3-dimethyl-1,2-dihydroimidazole has a molecular weight of 116.14 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethyl-1,2-dihydroimidazole is sourced from PubChem (CID 146392621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).