2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium

C38H25N8O8Ru- — CID 58239568

About 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium

2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium (PubChem CID 58239568) has the molecular formula C38H25N8O8Ru- and a molecular weight of 822.74 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
• PubChem CID: 58239568
• Molecular Formula: C38H25N8O8Ru-
• Molecular Weight: 822.74 g/mol
• Exact Mass: 823.08
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
• SMILES: O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
• InChI: InChI=1S/C14H10N4.2C12H8N2O4.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;/h1-8H,(H,15,16)(H,17,18);2*1-7H,(H,16,17);/p-1
• InChIKey: LSNRHQFELKVDPE-UHFFFAOYSA-M
• XLogP: 4.52
• TPSA: 238.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.74
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium (CID 58239568) is 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium is O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?

The InChIKey is LSNRHQFELKVDPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N4.2C12H8N2O4.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;/h1-8H,(H,15,16)(H,17,18);2*1-7H,(H,16,17);/p-1.

What are the key properties of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?

2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium has a molecular weight of 822.74 g/mol, XLogP of 4.52, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium is sourced from PubChem (CID 58239568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).