2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride

C17H21Cl3CoN5O2 — CID 70020501

IUPAC2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride
SMILESCOCCC1=NC(c2cccc(C3=NCC(CCOC)=N3)n2)=NC1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C17H21N5O2.3ClH.Co/c1-23-8-6-12-10-18-16(20-12)14-4-3-5-15(22-14)17-19-11-13(21-17)7-9-24-2;;;;/h3-5H,6-11H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyHRLCUHYOLYRRRH-UHFFFAOYSA-K
MW492.68 g/mol
LogP-7.43
Rot. Bonds8

About 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride

2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride (PubChem CID 70020501) has the molecular formula C17H21Cl3CoN5O2 and a molecular weight of 492.68 g/mol. Its IUPAC name is 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride.

Molecular Properties

Compound Name2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride
PubChem CID70020501
Molecular FormulaC17H21Cl3CoN5O2
Molecular Weight492.68 g/mol
Exact Mass491.01
IUPAC Name2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride
SMILESCOCCC1=NC(c2cccc(C3=NCC(CCOC)=N3)n2)=NC1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C17H21N5O2.3ClH.Co/c1-23-8-6-12-10-18-16(20-12)14-4-3-5-15(22-14)17-19-11-13(21-17)7-9-24-2;;;;/h3-5H,6-11H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyHRLCUHYOLYRRRH-UHFFFAOYSA-K
XLogP-7.43
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 5-7.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride?
The IUPAC name of 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride (CID 70020501) is 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride.
What is the SMILES notation for 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride?
The canonical SMILES for 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride is COCCC1=NC(c2cccc(C3=NCC(CCOC)=N3)n2)=NC1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride?
The InChIKey is HRLCUHYOLYRRRH-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H21N5O2.3ClH.Co/c1-23-8-6-12-10-18-16(20-12)14-4-3-5-15(22-14)17-19-11-13(21-17)7-9-24-2;;;;/h3-5H,6-11H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride?
2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride has a molecular weight of 492.68 g/mol, XLogP of -7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride is sourced from PubChem (CID 70020501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).