2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

C26H34N6O — CID 5279709

About 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 5279709) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

• Compound Name: 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
• PubChem CID: 5279709
• Molecular Formula: C26H34N6O
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.28
• IUPAC Name: 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
• SMILES: Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CC=CC4)CC3)nc3c(C)cccc32)n1
• InChI: InChI=1S/C26H34N6O/c1-19-6-5-7-23-25(19)29-26(32(23)18-22-24(33)9-8-20(2)27-22)28-21-10-14-31(15-11-21)17-16-30-12-3-4-13-30/h3-9,21,33H,10-18H2,1-2H3,(H,28,29)
• InChIKey: KYOKYABDMVSYSY-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 69.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	3.55
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-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The IUPAC name of 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol (CID 5279709) is 2-[[2-[[1-[2-(2,5-dihydropyrrol-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-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The canonical SMILES for 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CC=CC4)CC3)nc3c(C)cccc32)n1.

What is the InChIKey of 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

The InChIKey is KYOKYABDMVSYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-19-6-5-7-23-25(19)29-26(32(23)18-22-24(33)9-8-20(2)27-22)28-21-10-14-31(15-11-21)17-16-30-12-3-4-13-30/h3-9,21,33H,10-18H2,1-2H3,(H,28,29).

What are the key properties of 2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol?

2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 446.60 g/mol, XLogP of 3.55, 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-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 5279709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).