4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine

C21H22FN3O2 — CID 53325220

IUPAC4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine
SMILESCOc1ccc(F)c(-c2cnc(-c3cccc(CN4CCOCC4)c3)[nH]2)c1
InChIInChI=1S/C21H22FN3O2/c1-26-17-5-6-19(22)18(12-17)20-13-23-21(24-20)16-4-2-3-15(11-16)14-25-7-9-27-10-8-25/h2-6,11-13H,7-10,14H2,1H3,(H,23,24)
InChIKeyRTFYVHUBOHLBKA-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.72
Rot. Bonds5

About 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine

4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine (PubChem CID 53325220) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine
PubChem CID53325220
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine
SMILESCOc1ccc(F)c(-c2cnc(-c3cccc(CN4CCOCC4)c3)[nH]2)c1
InChIInChI=1S/C21H22FN3O2/c1-26-17-5-6-19(22)18(12-17)20-13-23-21(24-20)16-4-2-3-15(11-16)14-25-7-9-27-10-8-25/h2-6,11-13H,7-10,14H2,1H3,(H,23,24)
InChIKeyRTFYVHUBOHLBKA-UHFFFAOYSA-N
XLogP3.72
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine (CID 53325220) is 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine is COc1ccc(F)c(-c2cnc(-c3cccc(CN4CCOCC4)c3)[nH]2)c1.
What is the InChIKey of 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine?
The InChIKey is RTFYVHUBOHLBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-26-17-5-6-19(22)18(12-17)20-13-23-21(24-20)16-4-2-3-15(11-16)14-25-7-9-27-10-8-25/h2-6,11-13H,7-10,14H2,1H3,(H,23,24).
What are the key properties of 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine?
4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine has a molecular weight of 367.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(2-fluoro-5-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 53325220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).