4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine

C22H25FN4O — CID 10619769

IUPAC4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
SMILESFc1ccc(-c2ncn(CCCCN3CCOCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H25FN4O/c23-20-5-3-18(4-6-20)21-22(19-7-9-24-10-8-19)27(17-25-21)12-2-1-11-26-13-15-28-16-14-26/h3-10,17H,1-2,11-16H2
InChIKeyGLPPXWMKYPZQJS-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.86
Rot. Bonds7

About 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine

4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine (PubChem CID 10619769) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
PubChem CID10619769
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
SMILESFc1ccc(-c2ncn(CCCCN3CCOCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H25FN4O/c23-20-5-3-18(4-6-20)21-22(19-7-9-24-10-8-19)27(17-25-21)12-2-1-11-26-13-15-28-16-14-26/h3-10,17H,1-2,11-16H2
InChIKeyGLPPXWMKYPZQJS-UHFFFAOYSA-N
XLogP3.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine?
The IUPAC name of 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine (CID 10619769) is 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine.
What is the SMILES notation for 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine?
The canonical SMILES for 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine is Fc1ccc(-c2ncn(CCCCN3CCOCC3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine?
The InChIKey is GLPPXWMKYPZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c23-20-5-3-18(4-6-20)21-22(19-7-9-24-10-8-19)27(17-25-21)12-2-1-11-26-13-15-28-16-14-26/h3-10,17H,1-2,11-16H2.
What are the key properties of 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine?
4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine has a molecular weight of 380.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine is sourced from PubChem (CID 10619769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).