cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride

C21H17Cl2CoN5 — CID 70012856

IUPACcobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
SMILESCC1=CC2=NC(c3cccc(C4=NC5C=CC(C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C21H17N5.2ClH.Co/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21;;;/h3-11,14-15H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFJQIERFLRXBTQD-UHFFFAOYSA-L
MW469.24 g/mol
LogP-2.74
Rot. Bonds2

About cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride

cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride (PubChem CID 70012856) has the molecular formula C21H17Cl2CoN5 and a molecular weight of 469.24 g/mol. Its IUPAC name is cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride.

Molecular Properties

Compound Namecobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
PubChem CID70012856
Molecular FormulaC21H17Cl2CoN5
Molecular Weight469.24 g/mol
Exact Mass468.02
IUPAC Namecobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
SMILESCC1=CC2=NC(c3cccc(C4=NC5C=CC(C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C21H17N5.2ClH.Co/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21;;;/h3-11,14-15H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFJQIERFLRXBTQD-UHFFFAOYSA-L
XLogP-2.74
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.24
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The IUPAC name of cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride (CID 70012856) is cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride.
What is the SMILES notation for cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The canonical SMILES for cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride is CC1=CC2=NC(c3cccc(C4=NC5C=CC(C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The InChIKey is FJQIERFLRXBTQD-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H17N5.2ClH.Co/c1-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(2)11-19(15)26-21;;;/h3-11,14-15H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride has a molecular weight of 469.24 g/mol, XLogP of -2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);6-methyl-2-[6-(6-methyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride is sourced from PubChem (CID 70012856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).