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

C35H45Cl3CoN5O2 — CID 70013930

IUPACcobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
SMILESCCCCCCOCCn1c(-c2cccc(-c3nc4ccccc4n3CCOCCCCCC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C35H45N5O2.3ClH.Co/c1-3-5-7-13-24-41-26-22-39-32-20-11-9-16-28(32)37-34(39)30-18-15-19-31(36-30)35-38-29-17-10-12-21-33(29)40(35)23-27-42-25-14-8-6-4-2;;;;/h9-12,15-21H,3-8,13-14,22-27H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyGOTDMKNEYURVHO-UHFFFAOYSA-K
MW733.07 g/mol
LogP-0.68
Rot. Bonds18

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

cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride (PubChem CID 70013930) has the molecular formula C35H45Cl3CoN5O2 and a molecular weight of 733.07 g/mol. Its IUPAC name is cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride.

Molecular Properties

Compound Namecobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
PubChem CID70013930
Molecular FormulaC35H45Cl3CoN5O2
Molecular Weight733.07 g/mol
Exact Mass731.20
IUPAC Namecobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
SMILESCCCCCCOCCn1c(-c2cccc(-c3nc4ccccc4n3CCOCCCCCC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C35H45N5O2.3ClH.Co/c1-3-5-7-13-24-41-26-22-39-32-20-11-9-16-28(32)37-34(39)30-18-15-19-31(36-30)35-38-29-17-10-12-21-33(29)40(35)23-27-42-25-14-8-6-4-2;;;;/h9-12,15-21H,3-8,13-14,22-27H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyGOTDMKNEYURVHO-UHFFFAOYSA-K
XLogP-0.68
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500733.07
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]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

1-(hexoxymethyl)-2-[6-[1-(hexoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70013202
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
6-(1-octylbenzimidazol-2-yl)pyridine-2-carbaldehyde
CID 102300717
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70015423
12-[2-[6-[1-(12-sulfanyldodecyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]dodecane-1-thiol
CID 101010231
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
cobalt(3+);1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;trichloride
CID 70012998
cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride
CID 70012320
1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
CID 102420307
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-[4-dodecoxy-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylbenzimidazole
CID 71295623
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
The IUPAC name of cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride (CID 70013930) is cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride.
What is the SMILES notation for cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
The canonical SMILES for cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride is CCCCCCOCCn1c(-c2cccc(-c3nc4ccccc4n3CCOCCCCCC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
The InChIKey is GOTDMKNEYURVHO-UHFFFAOYSA-K. The full InChI is InChI=1S/C35H45N5O2.3ClH.Co/c1-3-5-7-13-24-41-26-22-39-32-20-11-9-16-28(32)37-34(39)30-18-15-19-31(36-30)35-38-29-17-10-12-21-33(29)40(35)23-27-42-25-14-8-6-4-2;;;;/h9-12,15-21H,3-8,13-14,22-27H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride?
cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride has a molecular weight of 733.07 g/mol, XLogP of -0.68, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride is sourced from PubChem (CID 70013930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).