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

C21H17Cl2CoN5O2 — CID 70012250

IUPACcobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
SMILESCOC1=CC2=NC(c3cccc(C4=NC5C=CC(OC)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C21H17N5O2.2ClH.Co/c1-27-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(28-2)11-19(15)26-21;;;/h3-11,14-15H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyHDSDCAXVHCNEGA-UHFFFAOYSA-L
MW501.24 g/mol
LogP-3.57
Rot. Bonds4

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

cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride (PubChem CID 70012250) has the molecular formula C21H17Cl2CoN5O2 and a molecular weight of 501.24 g/mol. Its IUPAC name is cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride.

Molecular Properties

Compound Namecobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
PubChem CID70012250
Molecular FormulaC21H17Cl2CoN5O2
Molecular Weight501.24 g/mol
Exact Mass500.01
IUPAC Namecobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
SMILESCOC1=CC2=NC(c3cccc(C4=NC5C=CC(OC)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C21H17N5O2.2ClH.Co/c1-27-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(28-2)11-19(15)26-21;;;/h3-11,14-15H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyHDSDCAXVHCNEGA-UHFFFAOYSA-L
XLogP-3.57
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.24
LogP ≤ 5-3.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The IUPAC name of cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride (CID 70012250) is cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride.
What is the SMILES notation for cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The canonical SMILES for cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride is COC1=CC2=NC(c3cccc(C4=NC5C=CC(OC)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The InChIKey is HDSDCAXVHCNEGA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H17N5O2.2ClH.Co/c1-27-12-6-8-14-18(10-12)25-20(23-14)16-4-3-5-17(22-16)21-24-15-9-7-13(28-2)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-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride has a molecular weight of 501.24 g/mol, XLogP of -3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);6-methoxy-2-[6-(6-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride is sourced from PubChem (CID 70012250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).