[(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane

C26H30N6P2 — CID 126554399

About [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane

[(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane (PubChem CID 126554399) has the molecular formula C26H30N6P2 and a molecular weight of 488.52 g/mol. Its IUPAC name is [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane.

Molecular Properties

• Compound Name: [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane
• PubChem CID: 126554399
• Molecular Formula: C26H30N6P2
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.20
• IUPAC Name: [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane
• SMILES: PN1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5P)[nH]4)cc3)cc2)[nH]1
• InChI: InChI=1S/C26H30N6P2/c33-31-13-1-3-23(31)25-27-15-21(29-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-16-28-26(30-22)24-4-2-14-32(24)34/h5-12,15-16,23-24H,1-4,13-14,33-34H2,(H,27,29)(H,28,30)/t23-,24?/m0/s1
• InChIKey: GAZDEXFGHHBWFM-UXMRNZNESA-N
• XLogP: 5.99
• TPSA: 63.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane?

The IUPAC name of [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane (CID 126554399) is [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane.

What is the SMILES notation for [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane?

The canonical SMILES for [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane is PN1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5P)[nH]4)cc3)cc2)[nH]1.

What is the InChIKey of [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane?

The InChIKey is GAZDEXFGHHBWFM-UXMRNZNESA-N. The full InChI is InChI=1S/C26H30N6P2/c33-31-13-1-3-23(31)25-27-15-21(29-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-16-28-26(30-22)24-4-2-14-32(24)34/h5-12,15-16,23-24H,1-4,13-14,33-34H2,(H,27,29)(H,28,30)/t23-,24?/m0/s1.

What are the key properties of [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane?

[(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane has a molecular weight of 488.52 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane is sourced from PubChem (CID 126554399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).