2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole

C10H13FN2 — CID 176566010

IUPAC2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole
SMILESC=C(C)/C=C(/F)c1nc(C)cn1C
InChIInChI=1S/C10H13FN2/c1-7(2)5-9(11)10-12-8(3)6-13(10)4/h5-6H,1H2,2-4H3/b9-5+
InChIKeyXUYKQWXRAXYWCA-WEVVVXLNSA-N
MW180.23 g/mol
LogP2.62
Rot. Bonds2

About 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole

2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole (PubChem CID 176566010) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole.

Molecular Properties

Compound Name2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole
PubChem CID176566010
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole
SMILESC=C(C)/C=C(/F)c1nc(C)cn1C
InChIInChI=1S/C10H13FN2/c1-7(2)5-9(11)10-12-8(3)6-13(10)4/h5-6H,1H2,2-4H3/b9-5+
InChIKeyXUYKQWXRAXYWCA-WEVVVXLNSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
5H-Pyrrolo[1,2-c]imidazole
CID 12275054
1,2,4-Trimethyl-1H-imidazole
CID 14717865
5-Ethenyl-1-methyl-1H-imidazole
CID 15086461
1,2,5-Trimethyl-1H-imidazole
CID 19430196
1H-Imidazole, 2,4-dimethyl-1-(1-methylethyl)-
CID 22891709
2,4-Dimethyl-1-propylimidazole
CID 25232206
5-Ethenyl-1-prop-2-enylimidazole
CID 45087580
2,5-Dimethyl-1-(propan-2-yl)-1H-imidazole
CID 45358361
2,4-Dimethyl-1-(2-methylpropyl)imidazole
CID 89051170
4-Methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole
CID 118688818
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)-
CID 6442774

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole?
The IUPAC name of 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole (CID 176566010) is 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole.
What is the SMILES notation for 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole?
The canonical SMILES for 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole is C=C(C)/C=C(/F)c1nc(C)cn1C.
What is the InChIKey of 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole?
The InChIKey is XUYKQWXRAXYWCA-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H13FN2/c1-7(2)5-9(11)10-12-8(3)6-13(10)4/h5-6H,1H2,2-4H3/b9-5+.
What are the key properties of 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole?
2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole has a molecular weight of 180.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole is sourced from PubChem (CID 176566010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).