bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate

C36H48Cl4Co2N20O17 — CID 139072432

IUPACbis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate
SMILESC(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[n-]1.C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[n-]1.O.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C18H23N10.4ClHO4.2Co.H2O/c2*1-2-23-16(22-1)13-19-7-10-28(11-8-20-14-17-24-3-4-25-17)12-9-21-15-18-26-5-6-27-18;4*2-1(3,4)5;;;/h2*1-6,13-15H,7-12H2,(H2-,22,23,24,25,26,27);4*(H,2,3,4,5);;;1H2/q2*-1;;;;;2*+3;/p-4/b2*19-13+,20-14+,21-15+;;;;;;;
InChIKeyNAMCEUJUZFSSHP-SPPYUVMDSA-J
MW1292.58 g/mol
LogP-18.97
Rot. Bonds24

About bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate

bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate (PubChem CID 139072432) has the molecular formula C36H48Cl4Co2N20O17 and a molecular weight of 1292.58 g/mol. Its IUPAC name is bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate.

Molecular Properties

Compound Namebis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate
PubChem CID139072432
Molecular FormulaC36H48Cl4Co2N20O17
Molecular Weight1292.58 g/mol
Exact Mass1290.09
IUPAC Namebis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate
SMILESC(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[n-]1.C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[n-]1.O.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C18H23N10.4ClHO4.2Co.H2O/c2*1-2-23-16(22-1)13-19-7-10-28(11-8-20-14-17-24-3-4-25-17)12-9-21-15-18-26-5-6-27-18;4*2-1(3,4)5;;;/h2*1-6,13-15H,7-12H2,(H2-,22,23,24,25,26,27);4*(H,2,3,4,5);;;1H2/q2*-1;;;;;2*+3;/p-4/b2*19-13+,20-14+,21-15+;;;;;;;
InChIKeyNAMCEUJUZFSSHP-SPPYUVMDSA-J
XLogP-18.97
TPSA649.80 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.58
LogP ≤ 5-18.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate?
The IUPAC name of bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate (CID 139072432) is bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate.
What is the SMILES notation for bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate?
The canonical SMILES for bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate is C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[n-]1.C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[n-]1.O.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate?
The InChIKey is NAMCEUJUZFSSHP-SPPYUVMDSA-J. The full InChI is InChI=1S/2C18H23N10.4ClHO4.2Co.H2O/c2*1-2-23-16(22-1)13-19-7-10-28(11-8-20-14-17-24-3-4-25-17)12-9-21-15-18-26-5-6-27-18;4*2-1(3,4)5;;;/h2*1-6,13-15H,7-12H2,(H2-,22,23,24,25,26,27);4*(H,2,3,4,5);;;1H2/q2*-1;;;;;2*+3;/p-4/b2*19-13+,20-14+,21-15+;;;;;;;.
What are the key properties of bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate?
bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate has a molecular weight of 1292.58 g/mol, XLogP of -18.97, 24 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));bis(N-[2-(imidazol-3-id-2-ylmethylideneamino)ethyl]-2-(1H-imidazol-2-ylmethylideneamino)-N-[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);tetraperchlorate;hydrate is sourced from PubChem (CID 139072432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).