2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C27H36N6O — CID 5279704

About 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279704) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

• Compound Name: 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
• PubChem CID: 5279704
• Molecular Formula: C27H36N6O
• Molecular Weight: 460.63 g/mol
• Exact Mass: 460.30
• IUPAC Name: 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
• SMILES: Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CC=CCC4)CC3)nc3c(C)cccc32)n1
• InChI: InChI=1S/C27H36N6O/c1-20-7-6-8-24-26(20)30-27(33(24)19-23-25(34)10-9-21(2)28-23)29-22-11-15-32(16-12-22)18-17-31-13-4-3-5-14-31/h3-4,6-10,22,34H,5,11-19H2,1-2H3,(H,29,30)
• InChIKey: WEYOZWXSGBLRIW-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 69.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.63
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The IUPAC name of 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279704) is 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

What is the SMILES notation for 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The canonical SMILES for 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CC=CCC4)CC3)nc3c(C)cccc32)n1.

What is the InChIKey of 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The InChIKey is WEYOZWXSGBLRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-20-7-6-8-24-26(20)30-27(33(24)19-23-25(34)10-9-21(2)28-23)29-22-11-15-32(16-12-22)18-17-31-13-4-3-5-14-31/h3-4,6-10,22,34H,5,11-19H2,1-2H3,(H,29,30).

What are the key properties of 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 460.63 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).