3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one

C26H25FN4O2 — CID 132772651

About 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 132772651) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
• PubChem CID: 132772651
• Molecular Formula: C26H25FN4O2
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.20
• IUPAC Name: 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
• SMILES: O=C(CCn1cnc2ccccc21)N1CCOC(c2cccc(Cc3ccc(F)cc3)n2)C1
• InChI: InChI=1S/C26H25FN4O2/c27-20-10-8-19(9-11-20)16-21-4-3-6-23(29-21)25-17-30(14-15-33-25)26(32)12-13-31-18-28-22-5-1-2-7-24(22)31/h1-11,18,25H,12-17H2
• InChIKey: IAUSKLCKQDABMT-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The IUPAC name of 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 132772651) is 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one.

What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The canonical SMILES for 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one is O=C(CCn1cnc2ccccc21)N1CCOC(c2cccc(Cc3ccc(F)cc3)n2)C1.

What is the InChIKey of 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The InChIKey is IAUSKLCKQDABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-20-10-8-19(9-11-20)16-21-4-3-6-23(29-21)25-17-30(14-15-33-25)26(32)12-13-31-18-28-22-5-1-2-7-24(22)31/h1-11,18,25H,12-17H2.

What are the key properties of 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?

3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 444.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 132772651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).