6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)

C18H16N4Y3-2 — CID 159392962

About 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)

6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) (PubChem CID 159392962) has the molecular formula C18H16N4Y3-2 and a molecular weight of 555.07 g/mol. Its IUPAC name is 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium).

Molecular Properties

• Compound Name: 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)
• PubChem CID: 159392962
• Molecular Formula: C18H16N4Y3-2
• Molecular Weight: 555.07 g/mol
• Exact Mass: 554.86
• IUPAC Name: 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)
• SMILES: Cc1[c-]cc2c(c1Cc1[c-]c(C)c(C)c3c1=NCN=3)=NCN=2.[Y].[Y].[Y]
• InChI: InChI=1S/C18H16N4.3Y/c1-10-4-5-15-18(22-8-19-15)14(10)7-13-6-11(2)12(3)16-17(13)21-9-20-16;;;/h5H,7-9H2,1-3H3;;;/q-2
• InChIKey: IDMJBMIGDXEDIT-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 49.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.07
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)?

The IUPAC name of 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) (CID 159392962) is 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium).

What is the SMILES notation for 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)?

The canonical SMILES for 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) is Cc1[c-]cc2c(c1Cc1[c-]c(C)c(C)c3c1=NCN=3)=NCN=2.[Y].[Y].[Y].

What is the InChIKey of 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)?

The InChIKey is IDMJBMIGDXEDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4.3Y/c1-10-4-5-15-18(22-8-19-15)14(10)7-13-6-11(2)12(3)16-17(13)21-9-20-16;;;/h5H,7-9H2,1-3H3;;;/q-2;;;.

What are the key properties of 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)?

6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) has a molecular weight of 555.07 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) is sourced from PubChem (CID 159392962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).