2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine

C20H18FN5 — CID 22181662

IUPAC2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine
SMILESCCC(c1ncc(-c2ccccc2)[nH]1)n1ccnc1-c1cccc(F)n1
InChIInChI=1S/C20H18FN5/c1-2-17(19-23-13-16(25-19)14-7-4-3-5-8-14)26-12-11-22-20(26)15-9-6-10-18(21)24-15/h3-13,17H,2H2,1H3,(H,23,25)
InChIKeyKBYTUEQUEZTEHU-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.47
Rot. Bonds5

About 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine

2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine (PubChem CID 22181662) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine
PubChem CID22181662
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine
SMILESCCC(c1ncc(-c2ccccc2)[nH]1)n1ccnc1-c1cccc(F)n1
InChIInChI=1S/C20H18FN5/c1-2-17(19-23-13-16(25-19)14-7-4-3-5-8-14)26-12-11-22-20(26)15-9-6-10-18(21)24-15/h3-13,17H,2H2,1H3,(H,23,25)
InChIKeyKBYTUEQUEZTEHU-UHFFFAOYSA-N
XLogP4.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine?
The IUPAC name of 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine (CID 22181662) is 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine?
The canonical SMILES for 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine is CCC(c1ncc(-c2ccccc2)[nH]1)n1ccnc1-c1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine?
The InChIKey is KBYTUEQUEZTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-2-17(19-23-13-16(25-19)14-7-4-3-5-8-14)26-12-11-22-20(26)15-9-6-10-18(21)24-15/h3-13,17H,2H2,1H3,(H,23,25).
What are the key properties of 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine?
2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine has a molecular weight of 347.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-[1-(5-phenyl-1H-imidazol-2-yl)propyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 22181662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).