4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)

C29H28N6Y5-2 — CID 147644607

About 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)

4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium) (PubChem CID 147644607) has the molecular formula C29H28N6Y5-2 and a molecular weight of 905.11 g/mol. Its IUPAC name is 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium).

Molecular Properties

• Compound Name: 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
• PubChem CID: 147644607
• Molecular Formula: C29H28N6Y5-2
• Molecular Weight: 905.11 g/mol
• Exact Mass: 904.77
• IUPAC Name: 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
• SMILES: Cc1[c-]c(C(c2[c-]c(C)c(C)c3c2=NCN=3)c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C29H28N6.5Y/c1-13-8-20(27-24(15(13)3)30-10-33-27)23(21-9-14(2)16(4)25-28(21)34-11-31-25)22-18(6)17(5)19(7)26-29(22)35-12-32-26;;;;;/h23H,10-12H2,1-7H3;;;;;/q-2
• InChIKey: HTCNRGLAOLZAPJ-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 74.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	905.11
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)?

The IUPAC name of 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium) (CID 147644607) is 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium).

What is the SMILES notation for 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)?

The canonical SMILES for 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium) is Cc1[c-]c(C(c2[c-]c(C)c(C)c3c2=NCN=3)c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)?

The InChIKey is HTCNRGLAOLZAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6.5Y/c1-13-8-20(27-24(15(13)3)30-10-33-27)23(21-9-14(2)16(4)25-28(21)34-11-31-25)22-18(6)17(5)19(7)26-29(22)35-12-32-26;;;;;/h23H,10-12H2,1-7H3;;;;;/q-2;;;;;.

What are the key properties of 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)?

4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium) has a molecular weight of 905.11 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium) is sourced from PubChem (CID 147644607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).