1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole

C23H25FN2O3 — CID 10386055

IUPAC1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
SMILESCOC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C23H25FN2O3/c1-17-25-9-10-26(17)21-5-3-18(4-6-21)16-29-22-14-19(13-20(24)15-22)23(27-2)7-11-28-12-8-23/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3
InChIKeyHTGQJYKWNVPUQR-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.55
Rot. Bonds6

About 1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole

1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole (PubChem CID 10386055) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
PubChem CID10386055
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
SMILESCOC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1
InChIInChI=1S/C23H25FN2O3/c1-17-25-9-10-26(17)21-5-3-18(4-6-21)16-29-22-14-19(13-20(24)15-22)23(27-2)7-11-28-12-8-23/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3
InChIKeyHTGQJYKWNVPUQR-UHFFFAOYSA-N
XLogP4.55
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.55
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-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
The IUPAC name of 1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole (CID 10386055) is 1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole.
What is the SMILES notation for 1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
The canonical SMILES for 1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole is COC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1.
What is the InChIKey of 1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
The InChIKey is HTGQJYKWNVPUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-17-25-9-10-26(17)21-5-3-18(4-6-21)16-29-22-14-19(13-20(24)15-22)23(27-2)7-11-28-12-8-23/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-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole has a molecular weight of 396.46 g/mol, XLogP of 4.55, 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-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole is sourced from PubChem (CID 10386055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).