[(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride

C42H43N4Ru-5 — CID 155933133

About [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride

[(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride (PubChem CID 155933133) has the molecular formula C42H43N4Ru-5 and a molecular weight of 704.90 g/mol. Its IUPAC name is [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride.

Molecular Properties

• Compound Name: [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride
• PubChem CID: 155933133
• Molecular Formula: C42H43N4Ru-5
• Molecular Weight: 704.90 g/mol
• Exact Mass: 705.26
• IUPAC Name: [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride
• SMILES: C[C@H](c1cccc2ccccc12)N1[CH-]N([C@H](C)c2cccc3ccccc23)CC1.[CH3-].[NH-][C@H](c1[c-]cccc1)[C@H]([NH-])c1ccccc1.[Ru]
• InChI: InChI=1S/C27H27N2.C14H13N2.CH3.Ru/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;/h3-16,19-21H,17-18H2,1-2H3;1-9,13-16H;1H3;/q-1;-3;-1;/t20-,21-;13-,14-;;/m11../s1
• InChIKey: XMQIMLJSNNCCDB-WXYQIMJFSA-N
• XLogP: 11.37
• TPSA: 54.08 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.90
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride?

The IUPAC name of [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride (CID 155933133) is [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride.

What is the SMILES notation for [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride?

The canonical SMILES for [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride is C[C@H](c1cccc2ccccc12)N1[CH-]N([C@H](C)c2cccc3ccccc23)CC1.[CH3-].[NH-][C@H](c1[c-]cccc1)[C@H]([NH-])c1ccccc1.[Ru].

What is the InChIKey of [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride?

The InChIKey is XMQIMLJSNNCCDB-WXYQIMJFSA-N. The full InChI is InChI=1S/C27H27N2.C14H13N2.CH3.Ru/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;/h3-16,19-21H,17-18H2,1-2H3;1-9,13-16H;1H3;/q-1;-3;-1;/t20-,21-;13-,14-;;/m11../s1.

What are the key properties of [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride?

[(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride has a molecular weight of 704.90 g/mol, XLogP of 11.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R)-2-azanidyl-1-phenyl-2-phenylethyl]azanide;1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazolidin-2-ide;carbanide;ruthenium monohydride is sourced from PubChem (CID 155933133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).