4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole

C9H11FN2 — CID 143849037

IUPAC4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole
SMILESC=Cc1nc(C)[nH]c1/C=C(\C)F
InChIInChI=1S/C9H11FN2/c1-4-8-9(5-6(2)10)12-7(3)11-8/h4-5H,1H2,2-3H3,(H,11,12)/b6-5+
InChIKeySWBDOARDZQVDOU-AATRIKPKSA-N
MW166.20 g/mol
LogP2.69
Rot. Bonds2

About 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole

4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole (PubChem CID 143849037) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole
PubChem CID143849037
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole
SMILESC=Cc1nc(C)[nH]c1/C=C(\C)F
InChIInChI=1S/C9H11FN2/c1-4-8-9(5-6(2)10)12-7(3)11-8/h4-5H,1H2,2-3H3,(H,11,12)/b6-5+
InChIKeySWBDOARDZQVDOU-AATRIKPKSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
The IUPAC name of 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole (CID 143849037) is 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
The canonical SMILES for 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole is C=Cc1nc(C)[nH]c1/C=C(\C)F.
What is the InChIKey of 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
The InChIKey is SWBDOARDZQVDOU-AATRIKPKSA-N. The full InChI is InChI=1S/C9H11FN2/c1-4-8-9(5-6(2)10)12-7(3)11-8/h4-5H,1H2,2-3H3,(H,11,12)/b6-5+.
What are the key properties of 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole?
4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole has a molecular weight of 166.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(E)-2-fluoroprop-1-enyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 143849037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).