chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide

C22H19ClCuN4-3 — CID 58544736

About chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide

chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide (PubChem CID 58544736) has the molecular formula C22H19ClCuN4-3 and a molecular weight of 438.42 g/mol. Its IUPAC name is chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide.

Molecular Properties

• Compound Name: chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide
• PubChem CID: 58544736
• Molecular Formula: C22H19ClCuN4-3
• Molecular Weight: 438.42 g/mol
• Exact Mass: 437.06
• IUPAC Name: chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide
• SMILES: CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.Cl[Cu]
• InChI: InChI=1S/C22H19N4.ClH.Cu/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;;/h3-13,15-16H,1-2H3;1H;/q-3;;+1/p-1
• InChIKey: MQFMVGOYZQDHNL-UHFFFAOYSA-M
• XLogP: 5.59
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.42
LogP ≤ 5	5.59
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 chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

The IUPAC name of chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide (CID 58544736) is chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide.

What is the SMILES notation for chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

The canonical SMILES for chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide is CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.Cl[Cu].

What is the InChIKey of chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

The InChIKey is MQFMVGOYZQDHNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H19N4.ClH.Cu/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;;/h3-13,15-16H,1-2H3;1H;/q-3;;+1/p-1.

What are the key properties of chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide?

chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide has a molecular weight of 438.42 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide is sourced from PubChem (CID 58544736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).