4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine

C28H27FN4 — CID 20644660

IUPAC4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine
SMILESCCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCCc1ccncc1
InChIInChI=1S/C28H27FN4/c1-2-3-4-8-26-32-27(23-9-11-25(29)12-10-23)28(24-15-19-31-20-16-24)33(26)21-6-5-7-22-13-17-30-18-14-22/h9-20H,2-3,5-7,21H2,1H3
InChIKeyLYLNHPLZFAKVNI-UHFFFAOYSA-N
MW438.55 g/mol
LogP6.32
Rot. Bonds8

About 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine (PubChem CID 20644660) has the molecular formula C28H27FN4 and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine
PubChem CID20644660
Molecular FormulaC28H27FN4
Molecular Weight438.55 g/mol
Exact Mass438.22
IUPAC Name4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine
SMILESCCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCCc1ccncc1
InChIInChI=1S/C28H27FN4/c1-2-3-4-8-26-32-27(23-9-11-25(29)12-10-23)28(24-15-19-31-20-16-24)33(26)21-6-5-7-22-13-17-30-18-14-22/h9-20H,2-3,5-7,21H2,1H3
InChIKeyLYLNHPLZFAKVNI-UHFFFAOYSA-N
XLogP6.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-chloropent-1-ynyl)-5-(4-fluorocyclohexa-1,3-dien-1-yl)-3-(3-phenylpropyl)imidazol-4-yl]pyridine;ethane
CID 157317221
4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine
CID 142137864
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
CID 174281142
4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine
CID 18771516
5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one
CID 11326260
2-[3-[5-(4-fluorophenyl)-2-(hydroxymethyl)-4-pyridin-4-ylimidazol-1-yl]propyl]isoindole-1,3-dione
CID 70282435
7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
CID 58782260
4-[2-(3-chloropropylsulfanyl)-5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyridine
CID 58752317
4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
CID 90240870
4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one
CID 142830702
4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine
CID 11834344
3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 55048354

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine (CID 20644660) is 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine is CCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCCc1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine?
The InChIKey is LYLNHPLZFAKVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4/c1-2-3-4-8-26-32-27(23-9-11-25(29)12-10-23)28(24-15-19-31-20-16-24)33(26)21-6-5-7-22-13-17-30-18-14-22/h9-20H,2-3,5-7,21H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine has a molecular weight of 438.55 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 20644660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).