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

C28H30FN5OS — CID 21050324

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

[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone (PubChem CID 21050324) has the molecular formula C28H30FN5OS and a molecular weight of 503.65 g/mol. Its IUPAC name is [4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: [4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone
• PubChem CID: 21050324
• Molecular Formula: C28H30FN5OS
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.22
• IUPAC Name: [4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone
• SMILES: O=C(C1CCN(Cc2ccsc2)CC1)N1CCC(n2c(-c3ccccn3)nc3cc(F)ccc32)CC1
• InChI: InChI=1S/C28H30FN5OS/c29-22-4-5-26-25(17-22)31-27(24-3-1-2-11-30-24)34(26)23-8-14-33(15-9-23)28(35)21-6-12-32(13-7-21)18-20-10-16-36-19-20/h1-5,10-11,16-17,19,21,23H,6-9,12-15,18H2
• InChIKey: UPWSFAIJVOLJHN-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone (CID 21050324) is [4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone.

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

The canonical SMILES for [4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone is O=C(C1CCN(Cc2ccsc2)CC1)N1CCC(n2c(-c3ccccn3)nc3cc(F)ccc32)CC1.

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

The InChIKey is UPWSFAIJVOLJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5OS/c29-22-4-5-26-25(17-22)31-27(24-3-1-2-11-30-24)34(26)23-8-14-33(15-9-23)28(35)21-6-12-32(13-7-21)18-20-10-16-36-19-20/h1-5,10-11,16-17,19,21,23H,6-9,12-15,18H2.

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

[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 503.65 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 21050324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).