1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone

C24H25FN2O3 — CID 11269805

IUPAC1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone
SMILESCC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C24H25FN2O3/c1-17(28)24(7-11-29-12-8-24)20-13-21(25)15-23(14-20)30-16-19-3-5-22(6-4-19)27-10-9-26-18(27)2/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3
InChIKeySTXVJXDZKPQFSK-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.54
Rot. Bonds6

About 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone

1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone (PubChem CID 11269805) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone
PubChem CID11269805
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone
SMILESCC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C24H25FN2O3/c1-17(28)24(7-11-29-12-8-24)20-13-21(25)15-23(14-20)30-16-19-3-5-22(6-4-19)27-10-9-26-18(27)2/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3
InChIKeySTXVJXDZKPQFSK-UHFFFAOYSA-N
XLogP4.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone?
The IUPAC name of 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone (CID 11269805) is 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone.
What is the SMILES notation for 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone?
The canonical SMILES for 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone is CC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1.
What is the InChIKey of 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone?
The InChIKey is STXVJXDZKPQFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-17(28)24(7-11-29-12-8-24)20-13-21(25)15-23(14-20)30-16-19-3-5-22(6-4-19)27-10-9-26-18(27)2/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3.
What are the key properties of 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone?
1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone has a molecular weight of 408.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxan-4-yl]ethanone is sourced from PubChem (CID 11269805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).