1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole

C14H19FN2 — CID 164596000

IUPAC1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole
SMILESC=C/C(Cn1cnc(C(C)C)c1)=C(F)\C=C/C
InChIInChI=1S/C14H19FN2/c1-5-7-13(15)12(6-2)8-17-9-14(11(3)4)16-10-17/h5-7,9-11H,2,8H2,1,3-4H3/b7-5-,13-12-
InChIKeySMXJPMXSCIOWIP-TXTXDJJGSA-N
MW234.32 g/mol
LogP3.99
Rot. Bonds5

About 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole

1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole (PubChem CID 164596000) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole
PubChem CID164596000
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole
SMILESC=C/C(Cn1cnc(C(C)C)c1)=C(F)\C=C/C
InChIInChI=1S/C14H19FN2/c1-5-7-13(15)12(6-2)8-17-9-14(11(3)4)16-10-17/h5-7,9-11H,2,8H2,1,3-4H3/b7-5-,13-12-
InChIKeySMXJPMXSCIOWIP-TXTXDJJGSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Di(propan-2-yl)imidazole
CID 10012104
1-Ethyl-4-isopropyl-1H-imidazole
CID 10057571
4-Tert-butyl-1-propan-2-ylimidazole
CID 10080747
1,4-Ditert-butylimidazole
CID 10261718
1-Tert-butyl-4-propan-2-ylimidazole
CID 10329677
5-tert-Butyl-1-methyl-1H-imidazole
CID 12361264
1,5-Di(propan-2-yl)-1H-imidazole
CID 12361267
1-Butyl-4-ethylimidazole
CID 15643148
4-(tert-Butyl)-1-vinyl-1H-imidazole
CID 22614089
5-Isopropyl-1-methyl-1H-imidazole
CID 22949817
4-(Tert-butyl)-1-methyl-1h-imidazole
CID 22990479
4-Ethyl-1-isopropyl-1H-imidazole
CID 45087745

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole?
The IUPAC name of 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole (CID 164596000) is 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole.
What is the SMILES notation for 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole?
The canonical SMILES for 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole is C=C/C(Cn1cnc(C(C)C)c1)=C(F)\C=C/C.
What is the InChIKey of 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole?
The InChIKey is SMXJPMXSCIOWIP-TXTXDJJGSA-N. The full InChI is InChI=1S/C14H19FN2/c1-5-7-13(15)12(6-2)8-17-9-14(11(3)4)16-10-17/h5-7,9-11H,2,8H2,1,3-4H3/b7-5-,13-12-.
What are the key properties of 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole?
1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole has a molecular weight of 234.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienyl]-4-propan-2-ylimidazole is sourced from PubChem (CID 164596000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).