2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole

C25H39FN2 — CID 57127097

IUPAC2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole
SMILESCCCCCCCc1ccc(C(C)CCCC(CCC)c2ncc[nH]2)cc1F
InChIInChI=1S/C25H39FN2/c1-4-6-7-8-9-13-21-15-16-23(19-24(21)26)20(3)12-10-14-22(11-5-2)25-27-17-18-28-25/h15-20,22H,4-14H2,1-3H3,(H,27,28)
InChIKeyGNZAJOSXYLUTMM-UHFFFAOYSA-N
MW386.60 g/mol
LogP7.92
Rot. Bonds14

About 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole

2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole (PubChem CID 57127097) has the molecular formula C25H39FN2 and a molecular weight of 386.60 g/mol. Its IUPAC name is 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole
PubChem CID57127097
Molecular FormulaC25H39FN2
Molecular Weight386.60 g/mol
Exact Mass386.31
IUPAC Name2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole
SMILESCCCCCCCc1ccc(C(C)CCCC(CCC)c2ncc[nH]2)cc1F
InChIInChI=1S/C25H39FN2/c1-4-6-7-8-9-13-21-15-16-23(19-24(21)26)20(3)12-10-14-22(11-5-2)25-27-17-18-28-25/h15-20,22H,4-14H2,1-3H3,(H,27,28)
InChIKeyGNZAJOSXYLUTMM-UHFFFAOYSA-N
XLogP7.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(4-decylphenyl)octan-3-yl]-1H-imidazole
CID 57322626
2-[7-(2-fluoro-4-octoxyphenyl)octan-3-yl]-1H-imidazole
CID 57212384
2-hexan-2-yl-1H-imidazole
CID 54215570
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2-[6-(4-octoxyphenyl)octyl]-1H-imidazole
CID 57196263
2,4-difluoro-1-pentylbenzene
CID 20770613
5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
CID 139662086
1-decan-2-yl-3-octylbenzene
CID 173491759
5-decyl-2-[3-fluoro-4-(5-fluorohexyl)phenyl]pyrimidine
CID 21197056
2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine
CID 22370325
5-(3-fluoro-4-heptylphenyl)-2-heptylpyrimidine
CID 19008446

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole?
The IUPAC name of 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole (CID 57127097) is 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole.
What is the SMILES notation for 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole?
The canonical SMILES for 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole is CCCCCCCc1ccc(C(C)CCCC(CCC)c2ncc[nH]2)cc1F.
What is the InChIKey of 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole?
The InChIKey is GNZAJOSXYLUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39FN2/c1-4-6-7-8-9-13-21-15-16-23(19-24(21)26)20(3)12-10-14-22(11-5-2)25-27-17-18-28-25/h15-20,22H,4-14H2,1-3H3,(H,27,28).
What are the key properties of 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole?
2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole has a molecular weight of 386.60 g/mol, XLogP of 7.92, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-fluoro-4-heptylphenyl)nonan-4-yl]-1H-imidazole is sourced from PubChem (CID 57127097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).