(4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine

C34H38N4Se2 — CID 10963366

About (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine

(4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine (PubChem CID 10963366) has the molecular formula C34H38N4Se2 and a molecular weight of 660.63 g/mol. Its IUPAC name is (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine.

Molecular Properties

• Compound Name: (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine
• PubChem CID: 10963366
• Molecular Formula: C34H38N4Se2
• Molecular Weight: 660.63 g/mol
• Exact Mass: 662.14
• IUPAC Name: (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine
• SMILES: CN1CN(C)[C@@H](c2ccccc2[Se][Se]c2ccccc2[C@H]2[C@H](c3ccccc3)N(C)CN2C)[C@@H]1c1ccccc1
• InChI: InChI=1S/C34H38N4Se2/c1-35-23-37(3)33(31(35)25-15-7-5-8-16-25)27-19-11-13-21-29(27)39-40-30-22-14-12-20-28(30)34-32(36(2)24-38(34)4)26-17-9-6-10-18-26/h5-22,31-34H,23-24H2,1-4H3/t31-,32-,33-,34-/m0/s1
• InChIKey: LXAILLULADGJKN-CUPIEXAXSA-N
• XLogP: 4.20
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.63
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine?

The IUPAC name of (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine (CID 10963366) is (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine.

What is the SMILES notation for (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine?

The canonical SMILES for (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine is CN1CN(C)[C@@H](c2ccccc2[Se][Se]c2ccccc2[C@H]2[C@H](c3ccccc3)N(C)CN2C)[C@@H]1c1ccccc1.

What is the InChIKey of (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine?

The InChIKey is LXAILLULADGJKN-CUPIEXAXSA-N. The full InChI is InChI=1S/C34H38N4Se2/c1-35-23-37(3)33(31(35)25-15-7-5-8-16-25)27-19-11-13-21-29(27)39-40-30-22-14-12-20-28(30)34-32(36(2)24-38(34)4)26-17-9-6-10-18-26/h5-22,31-34H,23-24H2,1-4H3/t31-,32-,33-,34-/m0/s1.

What are the key properties of (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine?

(4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine has a molecular weight of 660.63 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine is sourced from PubChem (CID 10963366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).