1-[2-(4-fluorophenyl)heptyl]imidazole

C16H21FN2 — CID 3006834

IUPAC1-[2-(4-fluorophenyl)heptyl]imidazole
SMILESCCCCCC(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2/c1-2-3-4-5-15(12-19-11-10-18-13-19)14-6-8-16(17)9-7-14/h6-11,13,15H,2-5,12H2,1H3
InChIKeyGWPSKCYGZFXWON-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.39
Rot. Bonds7

About 1-[2-(4-fluorophenyl)heptyl]imidazole

1-[2-(4-fluorophenyl)heptyl]imidazole (PubChem CID 3006834) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)heptyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)heptyl]imidazole
PubChem CID3006834
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name1-[2-(4-fluorophenyl)heptyl]imidazole
SMILESCCCCCC(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2/c1-2-3-4-5-15(12-19-11-10-18-13-19)14-6-8-16(17)9-7-14/h6-11,13,15H,2-5,12H2,1H3
InChIKeyGWPSKCYGZFXWON-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bifonazole
CID 2378
1-Benzylimidazole
CID 77918
Flutrimazole
CID 3401
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
1-Benzyl-3-methylimidazolium Chloride
CID 10560335
1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021558
Dechloroclotrimazole
CID 618231
Efetozole
CID 208911
1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
1-(1-Biphenyl-4-yl-2-phenyl-ethyl)-1H-imidazole
CID 13416469
1-(4-iodobenzyl)-1H-imidazole
CID 15984072

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)heptyl]imidazole?
The IUPAC name of 1-[2-(4-fluorophenyl)heptyl]imidazole (CID 3006834) is 1-[2-(4-fluorophenyl)heptyl]imidazole.
What is the SMILES notation for 1-[2-(4-fluorophenyl)heptyl]imidazole?
The canonical SMILES for 1-[2-(4-fluorophenyl)heptyl]imidazole is CCCCCC(Cn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)heptyl]imidazole?
The InChIKey is GWPSKCYGZFXWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-2-3-4-5-15(12-19-11-10-18-13-19)14-6-8-16(17)9-7-14/h6-11,13,15H,2-5,12H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)heptyl]imidazole?
1-[2-(4-fluorophenyl)heptyl]imidazole has a molecular weight of 260.36 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)heptyl]imidazole is sourced from PubChem (CID 3006834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).