4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine

C37H58N4O2 — CID 140615553

About 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine

4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine (PubChem CID 140615553) has the molecular formula C37H58N4O2 and a molecular weight of 590.90 g/mol. Its IUPAC name is 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine
• PubChem CID: 140615553
• Molecular Formula: C37H58N4O2
• Molecular Weight: 590.90 g/mol
• Exact Mass: 590.46
• IUPAC Name: 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine
• SMILES: CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N1CCN(c2c(C(C)C)cc(CN3CCOCC3)cc2C(C)C)C1
• InChI: InChI=1S/C37H58N4O2/c1-26(2)32-19-30(23-38-11-15-42-16-12-38)20-33(27(3)4)36(32)40-9-10-41(25-40)37-34(28(5)6)21-31(22-35(37)29(7)8)24-39-13-17-43-18-14-39/h19-22,26-29H,9-18,23-25H2,1-8H3
• InChIKey: PRWPLSMDRYSEGB-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 31.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.90
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine?

The IUPAC name of 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine (CID 140615553) is 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine.

What is the SMILES notation for 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine?

The canonical SMILES for 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine is CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N1CCN(c2c(C(C)C)cc(CN3CCOCC3)cc2C(C)C)C1.

What is the InChIKey of 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine?

The InChIKey is PRWPLSMDRYSEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H58N4O2/c1-26(2)32-19-30(23-38-11-15-42-16-12-38)20-33(27(3)4)36(32)40-9-10-41(25-40)37-34(28(5)6)21-31(22-35(37)29(7)8)24-39-13-17-43-18-14-39/h19-22,26-29H,9-18,23-25H2,1-8H3.

What are the key properties of 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine?

4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine has a molecular weight of 590.90 g/mol, XLogP of 7.13, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 140615553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).