[1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone

C28H31F2N5O2 — CID 143495683

About [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone

[1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 143495683) has the molecular formula C28H31F2N5O2 and a molecular weight of 507.59 g/mol. Its IUPAC name is [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
• PubChem CID: 143495683
• Molecular Formula: C28H31F2N5O2
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.24
• IUPAC Name: [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
• SMILES: O=C(N1CCC(n2c(-c3ccccn3)nc3cc(F)ccc32)CC1)C1(F)CCN(CC2CC=CO2)CC1
• InChI: InChI=1S/C28H31F2N5O2/c29-20-6-7-25-24(18-20)32-26(23-5-1-2-12-31-23)35(25)21-8-13-34(14-9-21)27(36)28(30)10-15-33(16-11-28)19-22-4-3-17-37-22/h1-3,5-7,12,17-18,21-22H,4,8-11,13-16,19H2
• InChIKey: PPEZWOFFJDYYGN-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?

The IUPAC name of [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 143495683) is [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?

The canonical SMILES for [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone is O=C(N1CCC(n2c(-c3ccccn3)nc3cc(F)ccc32)CC1)C1(F)CCN(CC2CC=CO2)CC1.

What is the InChIKey of [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?

The InChIKey is PPEZWOFFJDYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N5O2/c29-20-6-7-25-24(18-20)32-26(23-5-1-2-12-31-23)35(25)21-8-13-34(14-9-21)27(36)28(30)10-15-33(16-11-28)19-22-4-3-17-37-22/h1-3,5-7,12,17-18,21-22H,4,8-11,13-16,19H2.

What are the key properties of [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?

[1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 507.59 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,3-dihydrofuran-2-ylmethyl)-4-fluoropiperidin-4-yl]-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 143495683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).