1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)

C44H47Cu2I2N8O — CID 162286032

IUPAC1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)
SMILESCCOC1N(c2cc(C)cc(C)c2)c2nccnc2N1c1cc(C)cc(C)c1.Cc1cc(C)cc(N2[CH-]N(c3cc(C)cc(C)c3)c3nccnc32)c1.[Cu+]I.[Cu]I
InChIInChI=1S/C23H26N4O.C21H21N4.2Cu.2HI/c1-6-28-23-26(19-11-15(2)9-16(3)12-19)21-22(25-8-7-24-21)27(23)20-13-17(4)10-18(5)14-20;1-14-7-15(2)10-18(9-14)24-13-25(21-20(24)22-5-6-23-21)19-11-16(3)8-17(4)12-19;;;;/h7-14,23H,6H2,1-5H3;5-13H,1-4H3;;;2*1H/q;-1;+1;+2;;/p-2
InChIKeyYTHDVQWEGOOQLF-UHFFFAOYSA-L
MW1084.81 g/mol
LogP12.21
Rot. Bonds6

About 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)

1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+) (PubChem CID 162286032) has the molecular formula C44H47Cu2I2N8O and a molecular weight of 1084.81 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+).

Molecular Properties

Compound Name1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)
PubChem CID162286032
Molecular FormulaC44H47Cu2I2N8O
Molecular Weight1084.81 g/mol
Exact Mass1083.06
IUPAC Name1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)
SMILESCCOC1N(c2cc(C)cc(C)c2)c2nccnc2N1c1cc(C)cc(C)c1.Cc1cc(C)cc(N2[CH-]N(c3cc(C)cc(C)c3)c3nccnc32)c1.[Cu+]I.[Cu]I
InChIInChI=1S/C23H26N4O.C21H21N4.2Cu.2HI/c1-6-28-23-26(19-11-15(2)9-16(3)12-19)21-22(25-8-7-24-21)27(23)20-13-17(4)10-18(5)14-20;1-14-7-15(2)10-18(9-14)24-13-25(21-20(24)22-5-6-23-21)19-11-16(3)8-17(4)12-19;;;;/h7-14,23H,6H2,1-5H3;5-13H,1-4H3;;;2*1H/q;-1;+1;+2;;/p-2
InChIKeyYTHDVQWEGOOQLF-UHFFFAOYSA-L
XLogP12.21
TPSA73.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.81
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)?
The IUPAC name of 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+) (CID 162286032) is 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+).
What is the SMILES notation for 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)?
The canonical SMILES for 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+) is CCOC1N(c2cc(C)cc(C)c2)c2nccnc2N1c1cc(C)cc(C)c1.Cc1cc(C)cc(N2[CH-]N(c3cc(C)cc(C)c3)c3nccnc32)c1.[Cu+]I.[Cu]I.
What is the InChIKey of 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)?
The InChIKey is YTHDVQWEGOOQLF-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H26N4O.C21H21N4.2Cu.2HI/c1-6-28-23-26(19-11-15(2)9-16(3)12-19)21-22(25-8-7-24-21)27(23)20-13-17(4)10-18(5)14-20;1-14-7-15(2)10-18(9-14)24-13-25(21-20(24)22-5-6-23-21)19-11-16(3)8-17(4)12-19;;;;/h7-14,23H,6H2,1-5H3;5-13H,1-4H3;;;2*1H/q;-1;+1;+2;;/p-2.
What are the key properties of 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+)?
1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+) has a molecular weight of 1084.81 g/mol, XLogP of 12.21, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dimethylphenyl)-2-ethoxy-2H-imidazo[4,5-b]pyrazine;1,3-bis(3,5-dimethylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;iodocopper;iodocopper(1+) is sourced from PubChem (CID 162286032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).