1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one

C26H30N6O — CID 110093965

About 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one

1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one (PubChem CID 110093965) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one
• PubChem CID: 110093965
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one
• SMILES: Cc1cccc(Nc2cccc(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)n2)n1
• InChI: InChI=1S/C26H30N6O/c1-18-6-4-8-24(27-18)29-25-9-5-7-21(28-25)20-12-14-32(15-13-20)17-19-10-11-22-23(16-19)31(3)26(33)30(22)2/h4-11,16,20H,12-15,17H2,1-3H3,(H,27,28,29)
• InChIKey: PYHOMAKAVKNDGJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one?

The IUPAC name of 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one (CID 110093965) is 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one.

What is the SMILES notation for 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one?

The canonical SMILES for 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one is Cc1cccc(Nc2cccc(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)n2)n1.

What is the InChIKey of 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one?

The InChIKey is PYHOMAKAVKNDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18-6-4-8-24(27-18)29-25-9-5-7-21(28-25)20-12-14-32(15-13-20)17-19-10-11-22-23(16-19)31(3)26(33)30(22)2/h4-11,16,20H,12-15,17H2,1-3H3,(H,27,28,29).

What are the key properties of 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one?

1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one has a molecular weight of 442.57 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-[[4-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 110093965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).