cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride

C29H35Cl3CoN7 — CID 70012320

IUPACcobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride
SMILESCCN(CC)Cn1c(-c2cccc(-c3nc4ccccc4n3CN(CC)CC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C29H35N7.3ClH.Co/c1-5-33(6-2)20-35-26-18-11-9-14-22(26)31-28(35)24-16-13-17-25(30-24)29-32-23-15-10-12-19-27(23)36(29)21-34(7-3)8-4;;;;/h9-19H,5-8,20-21H2,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyWLWOTRXKDXDSCS-UHFFFAOYSA-K
MW646.94 g/mol
LogP-3.28
Rot. Bonds10

About cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride

cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride (PubChem CID 70012320) has the molecular formula C29H35Cl3CoN7 and a molecular weight of 646.94 g/mol. Its IUPAC name is cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride.

Molecular Properties

Compound Namecobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride
PubChem CID70012320
Molecular FormulaC29H35Cl3CoN7
Molecular Weight646.94 g/mol
Exact Mass645.14
IUPAC Namecobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride
SMILESCCN(CC)Cn1c(-c2cccc(-c3nc4ccccc4n3CN(CC)CC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C29H35N7.3ClH.Co/c1-5-33(6-2)20-35-26-18-11-9-14-22(26)31-28(35)24-16-13-17-25(30-24)29-32-23-15-10-12-19-27(23)36(29)21-34(7-3)8-4;;;;/h9-19H,5-8,20-21H2,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyWLWOTRXKDXDSCS-UHFFFAOYSA-K
XLogP-3.28
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.94
LogP ≤ 5-3.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;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

cobalt(3+);1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;trichloride
CID 70012998
1-[2-[6-[1-[(dimethylamino)methyl]benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]-N,N-dimethylmethanamine;neodymium(3+);trichloride
CID 173243474
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70015423
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine
CID 4737436
cobalt(3+);1-(2-hexoxyethyl)-2-[6-[1-(2-hexoxyethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70013930
1-(hexoxymethyl)-2-[6-[1-(hexoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70013202
12-[2-[6-[1-(12-sulfanyldodecyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]dodecane-1-thiol
CID 101010231
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole
CID 101336852
6-(1-octylbenzimidazol-2-yl)pyridine-2-carbaldehyde
CID 102300717

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride?
The IUPAC name of cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride (CID 70012320) is cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride.
What is the SMILES notation for cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride?
The canonical SMILES for cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride is CCN(CC)Cn1c(-c2cccc(-c3nc4ccccc4n3CN(CC)CC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride?
The InChIKey is WLWOTRXKDXDSCS-UHFFFAOYSA-K. The full InChI is InChI=1S/C29H35N7.3ClH.Co/c1-5-33(6-2)20-35-26-18-11-9-14-22(26)31-28(35)24-16-13-17-25(30-24)29-32-23-15-10-12-19-27(23)36(29)21-34(7-3)8-4;;;;/h9-19H,5-8,20-21H2,1-4H3;3*1H;/q;;;;+3/p-3.
What are the key properties of cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride?
cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride has a molecular weight of 646.94 g/mol, XLogP of -3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride is sourced from PubChem (CID 70012320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).