dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate

C36H38Cl2Cu2N8O10 — CID 139166075

IUPACdicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
SMILESCn1ccnc1CN(Cc1ccccn1)Cc1ccccc1[O-].Cn1ccnc1CN(Cc1ccccn1)Cc1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C18H20N4O.2ClHO4.2Cu/c2*1-21-11-10-20-18(21)14-22(13-16-7-4-5-9-19-16)12-15-6-2-3-8-17(15)23;2*2-1(3,4)5;;/h2*2-11,23H,12-14H2,1H3;2*(H,2,3,4,5);;/q;;;;2*+2/p-4
InChIKeyPZYOKBKZSJOAFR-UHFFFAOYSA-J
MW940.74 g/mol
LogP-5.33
Rot. Bonds12

About dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate

dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate (PubChem CID 139166075) has the molecular formula C36H38Cl2Cu2N8O10 and a molecular weight of 940.74 g/mol. Its IUPAC name is dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate.

Molecular Properties

Compound Namedicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
PubChem CID139166075
Molecular FormulaC36H38Cl2Cu2N8O10
Molecular Weight940.74 g/mol
Exact Mass938.07
IUPAC Namedicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
SMILESCn1ccnc1CN(Cc1ccccn1)Cc1ccccc1[O-].Cn1ccnc1CN(Cc1ccccn1)Cc1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C18H20N4O.2ClHO4.2Cu/c2*1-21-11-10-20-18(21)14-22(13-16-7-4-5-9-19-16)12-15-6-2-3-8-17(15)23;2*2-1(3,4)5;;/h2*2-11,23H,12-14H2,1H3;2*(H,2,3,4,5);;/q;;;;2*+2/p-4
InChIKeyPZYOKBKZSJOAFR-UHFFFAOYSA-J
XLogP-5.33
TPSA298.50 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.74
LogP ≤ 5-5.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate 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

Dicopper;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 139057719
bis((9R)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]);bis((9S)-9'-hydroxyspiro[8-oxa-16-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene-9,7'-8-oxa-9-bora-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]);tetrakis(propan-2-one)
CID 139064686
Bis(2-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate);bis(manganese(2+));diperchlorate;trihydrate
CID 139125139
Tetracopper;methanol;bis(2-[[2-oxido-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(pyrrolo[2,3-b]pyridin-1-ide)
CID 139130221
Acetonitrile;2-imidazol-3-id-2-ylphenolate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 139140069
Manganese(2+);manganese(3+);methanol;bis(2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)phenolate);isocyanate;dihydrate
CID 139150354
Cobalt(2+);bis(5-(diethylamino)-2-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)phenolate)
CID 139181540
2-[[Bis[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate;3-[3-(2-carboxylatoethyl)phenyl]propanoate;iron(3+);iron(4+);diperchlorate
CID 168338289
Tetraoxidanium;bis(manganese(2+));hexakis(manganese(3+));bis(oxygen(2-));2-(5-pyrazin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)phenolate;pentakis(2-(5-pyrazin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)phenolate);diacetate;tetrahydroxide
CID 168348256
Copper;acetonitrile;2-[[(1-methylbenzimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol;diperchlorate
CID 168350059
Dicopper;bis(acetonitrile);bis(2-[[(1-methylbenzimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate
CID 168350061
CID 57755207
CID 57755207

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
The IUPAC name of dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate (CID 139166075) is dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate.
What is the SMILES notation for dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
The canonical SMILES for dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate is Cn1ccnc1CN(Cc1ccccn1)Cc1ccccc1[O-].Cn1ccnc1CN(Cc1ccccn1)Cc1ccccc1[O-].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
The InChIKey is PZYOKBKZSJOAFR-UHFFFAOYSA-J. The full InChI is InChI=1S/2C18H20N4O.2ClHO4.2Cu/c2*1-21-11-10-20-18(21)14-22(13-16-7-4-5-9-19-16)12-15-6-2-3-8-17(15)23;2*2-1(3,4)5;;/h2*2-11,23H,12-14H2,1H3;2*(H,2,3,4,5);;/q;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate?
dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate has a molecular weight of 940.74 g/mol, XLogP of -5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-[[(1-methylimidazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate);diperchlorate is sourced from PubChem (CID 139166075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).