dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate

C28H48Cl4Cu2N12O20 — CID 139168798

IUPACdicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate
SMILESCO.CO.CO[C@@H](NCC/N=C/c1nccn1C)c1nccn1C.CO[C@H](NCC/N=C/c1nccn1C)c1nccn1C.[Cu+2].[Cu+2].[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/2C13H20N6O.2CH4O.4ClHO4.2Cu/c2*1-18-8-6-15-11(18)10-14-4-5-17-13(20-3)12-16-7-9-19(12)2;2*1-2;4*2-1(3,4)5;;/h2*6-10,13,17H,4-5H2,1-3H3;2*2H,1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4/b2*14-10+;;;;;;;;/t2*13-;;;;;;;;/m10......../s1
InChIKeySCHCCQUEPDMTJX-UZUCEKQKSA-J
MW1141.66 g/mol
LogP-18.80
Rot. Bonds14

About dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate

dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate (PubChem CID 139168798) has the molecular formula C28H48Cl4Cu2N12O20 and a molecular weight of 1141.66 g/mol. Its IUPAC name is dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate.

Molecular Properties

Compound Namedicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate
PubChem CID139168798
Molecular FormulaC28H48Cl4Cu2N12O20
Molecular Weight1141.66 g/mol
Exact Mass1138.05
IUPAC Namedicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate
SMILESCO.CO.CO[C@@H](NCC/N=C/c1nccn1C)c1nccn1C.CO[C@H](NCC/N=C/c1nccn1C)c1nccn1C.[Cu+2].[Cu+2].[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/2C13H20N6O.2CH4O.4ClHO4.2Cu/c2*1-18-8-6-15-11(18)10-14-4-5-17-13(20-3)12-16-7-9-19(12)2;2*1-2;4*2-1(3,4)5;;/h2*6-10,13,17H,4-5H2,1-3H3;2*2H,1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4/b2*14-10+;;;;;;;;/t2*13-;;;;;;;;/m10......../s1
InChIKeySCHCCQUEPDMTJX-UZUCEKQKSA-J
XLogP-18.80
TPSA547.94 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.66
LogP ≤ 5-18.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate with MolForge

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Related Compounds

N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
CID 101458660
2-(1-methoxypropyl)-1-methylimidazole
CID 118061871
(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
CID 59340385
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 116718762
fluoroform;2-(1-methoxyethyl)-1-methylimidazole
CID 174709320
2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 163675809
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79616214
N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 63975168
1-methyl-2-pentan-3-ylimidazole
CID 89261277
N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane
CID 177189399
(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
CID 167014806

Frequently Asked Questions

What is the IUPAC name of dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate?
The IUPAC name of dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate (CID 139168798) is dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate.
What is the SMILES notation for dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate?
The canonical SMILES for dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate is CO.CO.CO[C@@H](NCC/N=C/c1nccn1C)c1nccn1C.CO[C@H](NCC/N=C/c1nccn1C)c1nccn1C.[Cu+2].[Cu+2].[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 dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate?
The InChIKey is SCHCCQUEPDMTJX-UZUCEKQKSA-J. The full InChI is InChI=1S/2C13H20N6O.2CH4O.4ClHO4.2Cu/c2*1-18-8-6-15-11(18)10-14-4-5-17-13(20-3)12-16-7-9-19(12)2;2*1-2;4*2-1(3,4)5;;/h2*6-10,13,17H,4-5H2,1-3H3;2*2H,1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4/b2*14-10+;;;;;;;;/t2*13-;;;;;;;;/m10......../s1.
What are the key properties of dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate?
dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate has a molecular weight of 1141.66 g/mol, XLogP of -18.80, 14 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate is sourced from PubChem (CID 139168798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).