2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

C23H36N4O — CID 135094228

About 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (PubChem CID 135094228) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
• PubChem CID: 135094228
• Molecular Formula: C23H36N4O
• Molecular Weight: 384.57 g/mol
• Exact Mass: 384.29
• IUPAC Name: 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
• SMILES: Cc1cc(CN2CCC(C)CC2)c(C)c(CN(CCO)Cc2cnc(C)[nH]2)c1
• InChI: InChI=1S/C23H36N4O/c1-17-5-7-26(8-6-17)14-21-11-18(2)12-22(19(21)3)15-27(9-10-28)16-23-13-24-20(4)25-23/h11-13,17,28H,5-10,14-16H2,1-4H3,(H,24,25)
• InChIKey: XKDPTBKOHNIYNT-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 55.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.57
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The IUPAC name of 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (CID 135094228) is 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

What is the SMILES notation for 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The canonical SMILES for 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is Cc1cc(CN2CCC(C)CC2)c(C)c(CN(CCO)Cc2cnc(C)[nH]2)c1.

What is the InChIKey of 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The InChIKey is XKDPTBKOHNIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-17-5-7-26(8-6-17)14-21-11-18(2)12-22(19(21)3)15-27(9-10-28)16-23-13-24-20(4)25-23/h11-13,17,28H,5-10,14-16H2,1-4H3,(H,24,25).

What are the key properties of 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol has a molecular weight of 384.57 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 135094228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).