2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol

C20H19F2N3O2 — CID 78151161

IUPAC2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
SMILESOc1ccccc1CN1CCOCC1c1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C20H19F2N3O2/c21-14-5-6-15(16(22)9-14)17-10-23-20(24-17)18-12-27-8-7-25(18)11-13-3-1-2-4-19(13)26/h1-6,9-10,18,26H,7-8,11-12H2,(H,23,24)
InChIKeyIEGRVGOWNHVUKZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.63
Rot. Bonds4

About 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol

2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol (PubChem CID 78151161) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
PubChem CID78151161
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
SMILESOc1ccccc1CN1CCOCC1c1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C20H19F2N3O2/c21-14-5-6-15(16(22)9-14)17-10-23-20(24-17)18-12-27-8-7-25(18)11-13-3-1-2-4-19(13)26/h1-6,9-10,18,26H,7-8,11-12H2,(H,23,24)
InChIKeyIEGRVGOWNHVUKZ-UHFFFAOYSA-N
XLogP3.63
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
The IUPAC name of 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol (CID 78151161) is 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol is Oc1ccccc1CN1CCOCC1c1ncc(-c2ccc(F)cc2F)[nH]1.
What is the InChIKey of 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
The InChIKey is IEGRVGOWNHVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-14-5-6-15(16(22)9-14)17-10-23-20(24-17)18-12-27-8-7-25(18)11-13-3-1-2-4-19(13)26/h1-6,9-10,18,26H,7-8,11-12H2,(H,23,24).
What are the key properties of 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol?
2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol has a molecular weight of 371.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 78151161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).