1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole

C13H11F7N2 — CID 72942199

IUPAC1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=NCCN1Cc1ccccc1
InChIInChI=1S/C13H11F7N2/c14-11(15,12(16,17)13(18,19)20)10-21-6-7-22(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyQTZAKXBSUHSCJY-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.73
Rot. Bonds4

About 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole

1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole (PubChem CID 72942199) has the molecular formula C13H11F7N2 and a molecular weight of 328.23 g/mol. Its IUPAC name is 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole
PubChem CID72942199
Molecular FormulaC13H11F7N2
Molecular Weight328.23 g/mol
Exact Mass328.08
IUPAC Name1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=NCCN1Cc1ccccc1
InChIInChI=1S/C13H11F7N2/c14-11(15,12(16,17)13(18,19)20)10-21-6-7-22(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyQTZAKXBSUHSCJY-UHFFFAOYSA-N
XLogP3.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole?
The IUPAC name of 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole (CID 72942199) is 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole is FC(F)(F)C(F)(F)C(F)(F)C1=NCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole?
The InChIKey is QTZAKXBSUHSCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F7N2/c14-11(15,12(16,17)13(18,19)20)10-21-6-7-22(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole?
1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole has a molecular weight of 328.23 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydroimidazole is sourced from PubChem (CID 72942199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).