(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole

C10H13FN2 — CID 126707395

IUPAC(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(C)n/c1=C/C(C)=C(\C)F
InChIInChI=1S/C10H13FN2/c1-6(7(2)11)5-10-8(3)12-9(4)13-10/h5H,3H2,1-2,4H3,(H,12,13)/b7-6+,10-5+
InChIKeyRKPVZBXRMALXRF-XYLIHAQWSA-N
MW180.23 g/mol
LogP1.17
Rot. Bonds1

About (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole

(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole (PubChem CID 126707395) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
PubChem CID126707395
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(C)n/c1=C/C(C)=C(\C)F
InChIInChI=1S/C10H13FN2/c1-6(7(2)11)5-10-8(3)12-9(4)13-10/h5H,3H2,1-2,4H3,(H,12,13)/b7-6+,10-5+
InChIKeyRKPVZBXRMALXRF-XYLIHAQWSA-N
XLogP1.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
The IUPAC name of (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole (CID 126707395) is (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole.
What is the SMILES notation for (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
The canonical SMILES for (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole is C=c1[nH]c(C)n/c1=C/C(C)=C(\C)F.
What is the InChIKey of (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
The InChIKey is RKPVZBXRMALXRF-XYLIHAQWSA-N. The full InChI is InChI=1S/C10H13FN2/c1-6(7(2)11)5-10-8(3)12-9(4)13-10/h5H,3H2,1-2,4H3,(H,12,13)/b7-6+,10-5+.
What are the key properties of (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole?
(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole has a molecular weight of 180.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole is sourced from PubChem (CID 126707395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).