2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine

C20H20FN3O — CID 146039195

IUPAC2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine
SMILESFc1cccc(C2(Cn3ccnc3-c3ccccn3)CCOCC2)c1
InChIInChI=1S/C20H20FN3O/c21-17-5-3-4-16(14-17)20(7-12-25-13-8-20)15-24-11-10-23-19(24)18-6-1-2-9-22-18/h1-6,9-11,14H,7-8,12-13,15H2
InChIKeySXRYQJMJLHLWQR-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.83
Rot. Bonds4

About 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine

2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine (PubChem CID 146039195) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine
PubChem CID146039195
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine
SMILESFc1cccc(C2(Cn3ccnc3-c3ccccn3)CCOCC2)c1
InChIInChI=1S/C20H20FN3O/c21-17-5-3-4-16(14-17)20(7-12-25-13-8-20)15-24-11-10-23-19(24)18-6-1-2-9-22-18/h1-6,9-11,14H,7-8,12-13,15H2
InChIKeySXRYQJMJLHLWQR-UHFFFAOYSA-N
XLogP3.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine?
The IUPAC name of 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine (CID 146039195) is 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine?
The canonical SMILES for 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine is Fc1cccc(C2(Cn3ccnc3-c3ccccn3)CCOCC2)c1.
What is the InChIKey of 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine?
The InChIKey is SXRYQJMJLHLWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-5-3-4-16(14-17)20(7-12-25-13-8-20)15-24-11-10-23-19(24)18-6-1-2-9-22-18/h1-6,9-11,14H,7-8,12-13,15H2.
What are the key properties of 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine?
2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine has a molecular weight of 337.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 146039195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).