1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)

C43H58Cl2N3O3RuY — CID 140660634

About 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)

1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+) (PubChem CID 140660634) has the molecular formula C43H58Cl2N3O3RuY and a molecular weight of 925.84 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+).

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)
• PubChem CID: 140660634
• Molecular Formula: C43H58Cl2N3O3RuY
• Molecular Weight: 925.84 g/mol
• Exact Mass: 925.20
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)
• SMILES: CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CC[CH-]C(=O)N(C(=O)OCC(C)C)c1[c-]c(C=[Ru](Cl)Cl)ccc1.[Y+3]
• InChI: InChI=1S/C27H39N2.C16H19NO3.2ClH.Ru.Y/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-5-7-15(18)17(16(19)20-11-12(2)3)14-9-6-8-13(4)10-14;;;;/h9-14,17-21H,15-16H2,1-8H3;4,6-9,12H,5,11H2,1-3H3;2*1H;;/q-1;-2;;;+2;+3/p-2
• InChIKey: NQFXKGWOLRFPOK-UHFFFAOYSA-L
• XLogP: 11.93
• TPSA: 53.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.84
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+) (CID 140660634) is 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+).

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+) is CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CC[CH-]C(=O)N(C(=O)OCC(C)C)c1[c-]c(C=[Ru](Cl)Cl)ccc1.[Y+3].

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)?

The InChIKey is NQFXKGWOLRFPOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H39N2.C16H19NO3.2ClH.Ru.Y/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-5-7-15(18)17(16(19)20-11-12(2)3)14-9-6-8-13(4)10-14;;;;/h9-14,17-21H,15-16H2,1-8H3;4,6-9,12H,5,11H2,1-3H3;2*1H;;/q-1;-2;;;+2;+3/p-2.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+)?

1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+) has a molecular weight of 925.84 g/mol, XLogP of 11.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;[3-[butanoyl(2-methylpropoxycarbonyl)amino]benzene-2-id-1-yl]methylidene-dichlororuthenium;yttrium(3+) is sourced from PubChem (CID 140660634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).