2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole

C7H11FN2 — CID 142083523

IUPAC2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1C/C=C/F
InChIInChI=1S/C7H11FN2/c1-10-6-5-9-7(10)3-2-4-8/h2,4H,3,5-6H2,1H3/b4-2+
InChIKeyCSYXMIDNQRKXPP-DUXPYHPUSA-N
MW142.18 g/mol
LogP1.20
Rot. Bonds2

About 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole

2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 142083523) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole
PubChem CID142083523
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1C/C=C/F
InChIInChI=1S/C7H11FN2/c1-10-6-5-9-7(10)3-2-4-8/h2,4H,3,5-6H2,1H3/b4-2+
InChIKeyCSYXMIDNQRKXPP-DUXPYHPUSA-N
XLogP1.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole (CID 142083523) is 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole is CN1CCN=C1C/C=C/F.
What is the InChIKey of 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is CSYXMIDNQRKXPP-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H11FN2/c1-10-6-5-9-7(10)3-2-4-8/h2,4H,3,5-6H2,1H3/b4-2+.
What are the key properties of 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole?
2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 142.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 142083523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).