cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride

C23H21Cl3CoN5O2 — CID 70015423

IUPACcobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
SMILESCOCn1c(-c2cccc(-c3nc4ccccc4n3COC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C23H21N5O2.3ClH.Co/c1-29-14-27-20-12-5-3-8-16(20)25-22(27)18-10-7-11-19(24-18)23-26-17-9-4-6-13-21(17)28(23)15-30-2;;;;/h3-13H,14-15H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyOXRSPPAYMPASJG-UHFFFAOYSA-K
MW564.75 g/mol
LogP-4.67
Rot. Bonds6

About cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride

cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride (PubChem CID 70015423) has the molecular formula C23H21Cl3CoN5O2 and a molecular weight of 564.75 g/mol. Its IUPAC name is cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride.

Molecular Properties

Compound Namecobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
PubChem CID70015423
Molecular FormulaC23H21Cl3CoN5O2
Molecular Weight564.75 g/mol
Exact Mass563.01
IUPAC Namecobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
SMILESCOCn1c(-c2cccc(-c3nc4ccccc4n3COC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C23H21N5O2.3ClH.Co/c1-29-14-27-20-12-5-3-8-16(20)25-22(27)18-10-7-11-19(24-18)23-26-17-9-4-6-13-21(17)28(23)15-30-2;;;;/h3-13H,14-15H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyOXRSPPAYMPASJG-UHFFFAOYSA-K
XLogP-4.67
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.75
LogP ≤ 5-4.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
The IUPAC name of cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride (CID 70015423) is cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride.
What is the SMILES notation for cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
The canonical SMILES for cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride is COCn1c(-c2cccc(-c3nc4ccccc4n3COC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
The InChIKey is OXRSPPAYMPASJG-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H21N5O2.3ClH.Co/c1-29-14-27-20-12-5-3-8-16(20)25-22(27)18-10-7-11-19(24-18)23-26-17-9-4-6-13-21(17)28(23)15-30-2;;;;/h3-13H,14-15H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride has a molecular weight of 564.75 g/mol, XLogP of -4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride is sourced from PubChem (CID 70015423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).