6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol

C26H36N6O — CID 5279701

About 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol

6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (PubChem CID 5279701) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

Molecular Properties

• Compound Name: 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
• PubChem CID: 5279701
• Molecular Formula: C26H36N6O
• Molecular Weight: 448.62 g/mol
• Exact Mass: 448.30
• IUPAC Name: 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
• SMILES: Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CCCC4)CC3)nc3c(C)cccc32)n1
• InChI: InChI=1S/C26H36N6O/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/h5-9,21,33H,3-4,10-18H2,1-2H3,(H,28,29)
• InChIKey: WVUGWEAHJZJKDW-UHFFFAOYSA-N
• XLogP: 3.77
• 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	448.62
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?

The IUPAC name of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol (CID 5279701) is 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol.

What is the SMILES notation for 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?

The canonical SMILES for 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CCCC4)CC3)nc3c(C)cccc32)n1.

What is the InChIKey of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?

The InChIKey is WVUGWEAHJZJKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/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/h5-9,21,33H,3-4,10-18H2,1-2H3,(H,28,29).

What are the key properties of 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol?

6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol has a molecular weight of 448.62 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 5279701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).