1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)

C23H35ClCuN2 — CID 118343257

IUPAC1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)
SMILESC1CN(C23CC4CC(CC(C4)C2)C3)[C-](C23CC4CC(CC(C4)C2)C3)N1.Cl[Cu+]
InChIInChI=1S/C23H35N2.ClH.Cu/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22;;/h15-20,24H,1-14H2;1H;/q-1;;+2/p-1
InChIKeyBSORLOYGHQKKRG-UHFFFAOYSA-M
MW438.55 g/mol
LogP5.25
Rot. Bonds2

About 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)

1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+) (PubChem CID 118343257) has the molecular formula C23H35ClCuN2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+).

Molecular Properties

Compound Name1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)
PubChem CID118343257
Molecular FormulaC23H35ClCuN2
Molecular Weight438.55 g/mol
Exact Mass437.18
IUPAC Name1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)
SMILESC1CN(C23CC4CC(CC(C4)C2)C3)[C-](C23CC4CC(CC(C4)C2)C3)N1.Cl[Cu+]
InChIInChI=1S/C23H35N2.ClH.Cu/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22;;/h15-20,24H,1-14H2;1H;/q-1;;+2/p-1
InChIKeyBSORLOYGHQKKRG-UHFFFAOYSA-M
XLogP5.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)?
The IUPAC name of 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+) (CID 118343257) is 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+).
What is the SMILES notation for 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)?
The canonical SMILES for 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+) is C1CN(C23CC4CC(CC(C4)C2)C3)[C-](C23CC4CC(CC(C4)C2)C3)N1.Cl[Cu+].
What is the InChIKey of 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)?
The InChIKey is BSORLOYGHQKKRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H35N2.ClH.Cu/c1-2-25(23-12-18-6-19(13-23)8-20(7-18)14-23)21(24-1)22-9-15-3-16(10-22)5-17(4-15)11-22;;/h15-20,24H,1-14H2;1H;/q-1;;+2/p-1.
What are the key properties of 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+)?
1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+) has a molecular weight of 438.55 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-adamantyl)imidazolidin-2-ide;chlorocopper(1+) is sourced from PubChem (CID 118343257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).