3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one

C23H26FN5O2 — CID 172655187

About 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one

3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one (PubChem CID 172655187) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one.

Molecular Properties

• Compound Name: 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one
• PubChem CID: 172655187
• Molecular Formula: C23H26FN5O2
• Molecular Weight: 423.49 g/mol
• Exact Mass: 423.21
• IUPAC Name: 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one
• SMILES: Cc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCCC1c1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C23H26FN5O2/c1-14-8-12-28(16-6-9-25-10-7-16)22(30)20(14)23(31)29-11-2-3-19(29)21-26-17-5-4-15(24)13-18(17)27-21/h4-5,8,12-13,16,19,25H,2-3,6-7,9-11H2,1H3,(H,26,27)
• InChIKey: BCANUQRPIOPODZ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 83.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one?

The IUPAC name of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one (CID 172655187) is 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one.

What is the SMILES notation for 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one?

The canonical SMILES for 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCCC1c1nc2ccc(F)cc2[nH]1.

What is the InChIKey of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one?

The InChIKey is BCANUQRPIOPODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-14-8-12-28(16-6-9-25-10-7-16)22(30)20(14)23(31)29-11-2-3-19(29)21-26-17-5-4-15(24)13-18(17)27-21/h4-5,8,12-13,16,19,25H,2-3,6-7,9-11H2,1H3,(H,26,27).

What are the key properties of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one?

3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one has a molecular weight of 423.49 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 172655187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).