copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)

C20H36CuN10O10+2 — CID 11980358

IUPACcopper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)
SMILESCC1(C)N(O)C(c2cnc[nH]2)=[N+](O)C1(C)C.CC1(C)N(O)C(c2cnc[nH]2)=[N+](O)C1(C)C.O=[N+]([O-])O.O=[N+]([O-])O.[Cu]
InChIInChI=1S/2C10H16N4O2.Cu.2HNO3/c2*1-9(2)10(3,4)14(16)8(13(9)15)7-5-11-6-12-7;;2*2-1(3)4/h2*5-6,15-16H,1-4H3;;2*(H,2,3,4)/p+2
InChIKeyIXFITVIPTFUMKB-UHFFFAOYSA-P
MW640.11 g/mol
LogP0.94
Rot. Bonds2

About copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)

copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid) (PubChem CID 11980358) has the molecular formula C20H36CuN10O10+2 and a molecular weight of 640.11 g/mol. Its IUPAC name is copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid).

Molecular Properties

Compound Namecopper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)
PubChem CID11980358
Molecular FormulaC20H36CuN10O10+2
Molecular Weight640.11 g/mol
Exact Mass639.19
IUPAC Namecopper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)
SMILESCC1(C)N(O)C(c2cnc[nH]2)=[N+](O)C1(C)C.CC1(C)N(O)C(c2cnc[nH]2)=[N+](O)C1(C)C.O=[N+]([O-])O.O=[N+]([O-])O.[Cu]
InChIInChI=1S/2C10H16N4O2.Cu.2HNO3/c2*1-9(2)10(3,4)14(16)8(13(9)15)7-5-11-6-12-7;;2*2-1(3)4/h2*5-6,15-16H,1-4H3;;2*(H,2,3,4)/p+2
InChIKeyIXFITVIPTFUMKB-UHFFFAOYSA-P
XLogP0.94
TPSA277.52 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500640.11
LogP ≤ 50.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)?
The IUPAC name of copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid) (CID 11980358) is copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid).
What is the SMILES notation for copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)?
The canonical SMILES for copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid) is CC1(C)N(O)C(c2cnc[nH]2)=[N+](O)C1(C)C.CC1(C)N(O)C(c2cnc[nH]2)=[N+](O)C1(C)C.O=[N+]([O-])O.O=[N+]([O-])O.[Cu].
What is the InChIKey of copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)?
The InChIKey is IXFITVIPTFUMKB-UHFFFAOYSA-P. The full InChI is InChI=1S/2C10H16N4O2.Cu.2HNO3/c2*1-9(2)10(3,4)14(16)8(13(9)15)7-5-11-6-12-7;;2*2-1(3)4/h2*5-6,15-16H,1-4H3;;2*(H,2,3,4)/p+2.
What are the key properties of copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid)?
copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid) has a molecular weight of 640.11 g/mol, XLogP of 0.94, 2 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1,3-dihydroxy-2-(1H-imidazol-5-yl)-4,4,5,5-tetramethylimidazol-1-ium);bis(nitric acid) is sourced from PubChem (CID 11980358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).