[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone

C25H23FN4O2 — CID 95816737

About [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone

[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone (PubChem CID 95816737) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
• PubChem CID: 95816737
• Molecular Formula: C25H23FN4O2
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.18
• IUPAC Name: [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
• SMILES: O=C(c1ccc2nc(CO)[nH]c2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1
• InChI: InChI=1S/C25H23FN4O2/c26-19-9-6-16(7-10-19)20-4-1-5-21(27-20)18-3-2-12-30(14-18)25(32)17-8-11-22-23(13-17)29-24(15-31)28-22/h1,4-11,13,18,31H,2-3,12,14-15H2,(H,28,29)/t18-/m1/s1
• InChIKey: WEOHDLMOGHNKMA-GOSISDBHSA-N
• XLogP: 4.28
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone?

The IUPAC name of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone (CID 95816737) is [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone.

What is the SMILES notation for [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone?

The canonical SMILES for [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone is O=C(c1ccc2nc(CO)[nH]c2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1.

What is the InChIKey of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone?

The InChIKey is WEOHDLMOGHNKMA-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-19-9-6-16(7-10-19)20-4-1-5-21(27-20)18-3-2-12-30(14-18)25(32)17-8-11-22-23(13-17)29-24(15-31)28-22/h1,4-11,13,18,31H,2-3,12,14-15H2,(H,28,29)/t18-/m1/s1.

What are the key properties of [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone?

[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone has a molecular weight of 430.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 95816737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).