cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride

C21H17Cl3CoN5O2 — CID 70015207

IUPACcobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
SMILESCOC1=CC=CC2=NC(c3cccc(C4=NC5C(OC)=CC=CC5=N4)n3)=NC12.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C21H17N5O2.3ClH.Co/c1-27-16-10-4-6-12-18(16)25-20(23-12)14-8-3-9-15(22-14)21-24-13-7-5-11-17(28-2)19(13)26-21;;;;/h3-11,18-19H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyIHNSTJANQJUVHF-UHFFFAOYSA-K
MW536.69 g/mol
LogP-6.57
Rot. Bonds4

About cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride

cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride (PubChem CID 70015207) has the molecular formula C21H17Cl3CoN5O2 and a molecular weight of 536.69 g/mol. Its IUPAC name is cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride.

Molecular Properties

Compound Namecobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
PubChem CID70015207
Molecular FormulaC21H17Cl3CoN5O2
Molecular Weight536.69 g/mol
Exact Mass534.98
IUPAC Namecobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
SMILESCOC1=CC=CC2=NC(c3cccc(C4=NC5C(OC)=CC=CC5=N4)n3)=NC12.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C21H17N5O2.3ClH.Co/c1-27-16-10-4-6-12-18(16)25-20(23-12)14-8-3-9-15(22-14)21-24-13-7-5-11-17(28-2)19(13)26-21;;;;/h3-11,18-19H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyIHNSTJANQJUVHF-UHFFFAOYSA-K
XLogP-6.57
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.69
LogP ≤ 5-6.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride with MolForge

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

Launch Full Analysis

Related Compounds

iron(3+);7-methoxy-2-[6-(7-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
CID 70013919
2-[6-(3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole
CID 53422957
cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride
CID 70011501
2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride
CID 173244045
2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;iron(3+);trichloride
CID 70014528
6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;vanadium;trichloride
CID 173245306
6-ethyl-2-[6-(6-ethyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;iron(2+);dichloride
CID 70015201
iron(3+);6-pentyl-2-[6-(6-pentyl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride
CID 70013206
6-pyrrolidin-1-yl-2-[6-(6-pyrrolidin-1-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;vanadium(2+);dichloride
CID 173243589
2,6-bis[5-(2-methoxyethyl)-4H-imidazol-2-yl]pyridine;cobalt(3+);trichloride
CID 70020501
5-chloro-2-(6-methoxy-2-pyridinyl)-N-pyridin-4-yl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine
CID 163923164
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride?
The IUPAC name of cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride (CID 70015207) is cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride.
What is the SMILES notation for cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride?
The canonical SMILES for cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride is COC1=CC=CC2=NC(c3cccc(C4=NC5C(OC)=CC=CC5=N4)n3)=NC12.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride?
The InChIKey is IHNSTJANQJUVHF-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H17N5O2.3ClH.Co/c1-27-16-10-4-6-12-18(16)25-20(23-12)14-8-3-9-15(22-14)21-24-13-7-5-11-17(28-2)19(13)26-21;;;;/h3-11,18-19H,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride?
cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride has a molecular weight of 536.69 g/mol, XLogP of -6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);4-methoxy-2-[6-(4-methoxy-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;trichloride is sourced from PubChem (CID 70015207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).