5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole

C21H23FN2 — CID 10567872

IUPAC5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole
SMILESCc1ccccc1CCCCC(c1ccc(F)cc1)c1cnc[nH]1
InChIInChI=1S/C21H23FN2/c1-16-6-2-3-7-17(16)8-4-5-9-20(21-14-23-15-24-21)18-10-12-19(22)13-11-18/h2-3,6-7,10-15,20H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyMBBRLIQBWUWXLI-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.40
Rot. Bonds7

About 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole

5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole (PubChem CID 10567872) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole
PubChem CID10567872
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole
SMILESCc1ccccc1CCCCC(c1ccc(F)cc1)c1cnc[nH]1
InChIInChI=1S/C21H23FN2/c1-16-6-2-3-7-17(16)8-4-5-9-20(21-14-23-15-24-21)18-10-12-19(22)13-11-18/h2-3,6-7,10-15,20H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyMBBRLIQBWUWXLI-UHFFFAOYSA-N
XLogP5.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.40
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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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole?
The IUPAC name of 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole (CID 10567872) is 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole is Cc1ccccc1CCCCC(c1ccc(F)cc1)c1cnc[nH]1.
What is the InChIKey of 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole?
The InChIKey is MBBRLIQBWUWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c1-16-6-2-3-7-17(16)8-4-5-9-20(21-14-23-15-24-21)18-10-12-19(22)13-11-18/h2-3,6-7,10-15,20H,4-5,8-9H2,1H3,(H,23,24).
What are the key properties of 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole?
5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole has a molecular weight of 322.43 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)-5-(2-methylphenyl)pentyl]-1H-imidazole is sourced from PubChem (CID 10567872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).