4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine

C26H26FN5O2 — CID 15872397

IUPAC4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C26H26FN5O2/c27-21-9-7-20(8-10-21)24-25(32(19-29-24)14-4-13-31-15-17-33-18-16-31)23-11-12-28-26(30-23)34-22-5-2-1-3-6-22/h1-3,5-12,19H,4,13-18H2
InChIKeyACPDWORYPUMSIV-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.66
Rot. Bonds8

About 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine

4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 15872397) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine
PubChem CID15872397
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C26H26FN5O2/c27-21-9-7-20(8-10-21)24-25(32(19-29-24)14-4-13-31-15-17-33-18-16-31)23-11-12-28-26(30-23)34-22-5-2-1-3-6-22/h1-3,5-12,19H,4,13-18H2
InChIKeyACPDWORYPUMSIV-UHFFFAOYSA-N
XLogP4.66
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine (CID 15872397) is 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine is Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is ACPDWORYPUMSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-21-9-7-20(8-10-21)24-25(32(19-29-24)14-4-13-31-15-17-33-18-16-31)23-11-12-28-26(30-23)34-22-5-2-1-3-6-22/h1-3,5-12,19H,4,13-18H2.
What are the key properties of 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine?
4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 459.53 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 15872397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).