4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole

C8H11FN2 — CID 89120906

IUPAC4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
SMILESC/C=C/C1NC=NC1/C=C/F
InChIInChI=1S/C8H11FN2/c1-2-3-7-8(4-5-9)11-6-10-7/h2-8H,1H3,(H,10,11)/b3-2+,5-4+
InChIKeyRJACUSGLQKWJON-MQQKCMAXSA-N
MW154.19 g/mol
LogP1.41
Rot. Bonds2

About 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole

4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 89120906) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
PubChem CID89120906
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
SMILESC/C=C/C1NC=NC1/C=C/F
InChIInChI=1S/C8H11FN2/c1-2-3-7-8(4-5-9)11-6-10-7/h2-8H,1H3,(H,10,11)/b3-2+,5-4+
InChIKeyRJACUSGLQKWJON-MQQKCMAXSA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 146992511
5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 149309374
5-ethenyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-4,5-dihydro-1H-imidazole
CID 144315786
3a,7a-dihydro-1H-benzimidazole
CID 15762978
3-(4,5-Dihydroimidazol-1-yl)pent-4-en-2-amine
CID 69238786
6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 70333893
6-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89093625
3a,7a-dihydro-1H-benzimidazole;ethane
CID 123269322
5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
CID 126746270
5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole;ethane
CID 143686131
5-ethenyl-4-[(Z)-prop-1-enyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 144094904

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole (CID 89120906) is 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole is C/C=C/C1NC=NC1/C=C/F.
What is the InChIKey of 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is RJACUSGLQKWJON-MQQKCMAXSA-N. The full InChI is InChI=1S/C8H11FN2/c1-2-3-7-8(4-5-9)11-6-10-7/h2-8H,1H3,(H,10,11)/b3-2+,5-4+.
What are the key properties of 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole?
4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 154.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 89120906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).