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

C19H18N4Y3-2 — CID 149453998

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

4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) (PubChem CID 149453998) has the molecular formula C19H18N4Y3-2 and a molecular weight of 569.10 g/mol. Its IUPAC name is 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium).

Molecular Properties

• Compound Name: 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)
• PubChem CID: 149453998
• Molecular Formula: C19H18N4Y3-2
• Molecular Weight: 569.10 g/mol
• Exact Mass: 568.87
• IUPAC Name: 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)
• SMILES: Cc1[c-]c(Cc2c(C)[c-]c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.[Y].[Y].[Y]
• InChI: InChI=1S/C19H18N4.3Y/c1-10-6-14(18-17(13(10)4)21-9-22-18)7-15-11(2)5-12(3)16-19(15)23-8-20-16;;;/h7-9H2,1-4H3;;;/q-2
• InChIKey: NJZNHUGSHKNVQM-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 49.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.10
LogP ≤ 5	0.52
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 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)?

The IUPAC name of 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) (CID 149453998) is 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium).

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

The canonical SMILES for 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) is Cc1[c-]c(Cc2c(C)[c-]c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.[Y].[Y].[Y].

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

The InChIKey is NJZNHUGSHKNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4.3Y/c1-10-6-14(18-17(13(10)4)21-9-22-18)7-15-11(2)5-12(3)16-19(15)23-8-20-16;;;/h7-9H2,1-4H3;;;/q-2;;;.

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

4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) has a molecular weight of 569.10 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5,7-dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium) is sourced from PubChem (CID 149453998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).