cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride

C23H23Cl3CoN7 — CID 70011501

IUPACcobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride
SMILESCN(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(N(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C23H23N7.3ClH.Co/c1-29(2)14-8-10-16-20(12-14)27-22(25-16)18-6-5-7-19(24-18)23-26-17-11-9-15(30(3)4)13-21(17)28-23;;;;/h5-13,16-17H,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyLXWZEUPRGINYGR-UHFFFAOYSA-K
MW562.78 g/mol
LogP-6.74
Rot. Bonds4

About cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride

cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride (PubChem CID 70011501) has the molecular formula C23H23Cl3CoN7 and a molecular weight of 562.78 g/mol. Its IUPAC name is cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride.

Molecular Properties

Compound Namecobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride
PubChem CID70011501
Molecular FormulaC23H23Cl3CoN7
Molecular Weight562.78 g/mol
Exact Mass561.04
IUPAC Namecobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride
SMILESCN(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(N(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C23H23N7.3ClH.Co/c1-29(2)14-8-10-16-20(12-14)27-22(25-16)18-6-5-7-19(24-18)23-26-17-11-9-15(30(3)4)13-21(17)28-23;;;;/h5-13,16-17H,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyLXWZEUPRGINYGR-UHFFFAOYSA-K
XLogP-6.74
TPSA68.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.78
LogP ≤ 5-6.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Guanidine, ((2,6-pyridylidene)dimethylene)di-
CID 3062060
1-[[6-[[Carbamimidoyl(propyl)amino]methyl]-2-pyridinyl]methyl]-1-propylguanidine;dihydrochloride
CID 49796535
2-[[6-[(Diaminomethylideneamino)methyl]-2-pyridinyl]methyl]guanidine;dihydrochloride
CID 49796556
N,N-Diethyl-6-methyl-2-pyridinemethanamine
CID 20791724
2,6-Bis(diethylaminomethyl)pyridine
CID 12058869
(2S,2'S)-1,1'-Bis((6-methylpyridin-2-yl)methyl)-2,2'-bipyrrolidine tetrahydrochloride
CID 71310822
(2R,2'R)-1,1'-Bis(6-methyl-2-pyridinylmethyl)-2,2'-bipyrrolidine tetrahydrochloride
CID 71310824
(2R,2'R)-1,1'-Bis((6-methylpyridin-2-yl)methyl)-2,2'-bipyrrolidine
CID 24813216
1,1'-(Pyridine-2,6-diyl)bis(N,N-dimethylmethanamine)
CID 10919238
trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[(6-methyl-2-pyridinyl)methyl]cyclohexane-1,2-diamine
CID 11193351
Bis(imidazoline) pyridine
CID 16069399
1-[(6-Ethenyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 68446607

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
The IUPAC name of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride (CID 70011501) is cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride.
What is the SMILES notation for cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
The canonical SMILES for cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride is CN(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(N(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
The InChIKey is LXWZEUPRGINYGR-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H23N7.3ClH.Co/c1-29(2)14-8-10-16-20(12-14)27-22(25-16)18-6-5-7-19(24-18)23-26-17-11-9-15(30(3)4)13-21(17)28-23;;;;/h5-13,16-17H,1-4H3;3*1H;/q;;;;+3/p-3.
What are the key properties of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride has a molecular weight of 562.78 g/mol, XLogP of -6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride is sourced from PubChem (CID 70011501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).