2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C44H56N10O3 — CID 142757567

About 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 142757567) has the molecular formula C44H56N10O3 and a molecular weight of 773.00 g/mol. Its IUPAC name is 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

• Compound Name: 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
• PubChem CID: 142757567
• Molecular Formula: C44H56N10O3
• Molecular Weight: 773.00 g/mol
• Exact Mass: 772.45
• IUPAC Name: 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
• SMILES: Cc1ccc(O)c(Cn2c(NC3CCN(CCOCCN4CCC(Nc5nc6c(C)cccc6n5Cc5nc(C)ccc5O)CC4)CC3)nc3c(C)cccc32)n1
• InChI: InChI=1S/C44H56N10O3/c1-29-7-5-9-37-41(29)49-43(53(37)27-35-39(55)13-11-31(3)45-35)47-33-15-19-51(20-16-33)23-25-57-26-24-52-21-17-34(18-22-52)48-44-50-42-30(2)8-6-10-38(42)54(44)28-36-40(56)14-12-32(4)46-36/h5-14,33-34,55-56H,15-28H2,1-4H3,(H,47,49)(H,48,50)
• InChIKey: AAVCZSXDYPXETF-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 141.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	773.00
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The IUPAC name of 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 142757567) is 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

What is the SMILES notation for 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The canonical SMILES for 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CCOCCN4CCC(Nc5nc6c(C)cccc6n5Cc5nc(C)ccc5O)CC4)CC3)nc3c(C)cccc32)n1.

What is the InChIKey of 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The InChIKey is AAVCZSXDYPXETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N10O3/c1-29-7-5-9-37-41(29)49-43(53(37)27-35-39(55)13-11-31(3)45-35)47-33-15-19-51(20-16-33)23-25-57-26-24-52-21-17-34(18-22-52)48-44-50-42-30(2)8-6-10-38(42)54(44)28-36-40(56)14-12-32(4)46-36/h5-14,33-34,55-56H,15-28H2,1-4H3,(H,47,49)(H,48,50).

What are the key properties of 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 773.00 g/mol, XLogP of 6.39, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[1-[2-[2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]ethoxy]ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 142757567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).