1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)

C21H24CuN2+ — CID 171157426

IUPAC1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)
SMILESCc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.[Cu+]
InChIInChI=1S/C21H24N2.Cu/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-12H,1-6H3;/q;+1
InChIKeyOWYMZSNUPZRCPK-UHFFFAOYSA-N
MW367.98 g/mol
LogP4.40
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+) (PubChem CID 171157426) has the molecular formula C21H24CuN2+ and a molecular weight of 367.98 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+).

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)
PubChem CID171157426
Molecular FormulaC21H24CuN2+
Molecular Weight367.98 g/mol
Exact Mass367.12
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)
SMILESCc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.[Cu+]
InChIInChI=1S/C21H24N2.Cu/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-12H,1-6H3;/q;+1
InChIKeyOWYMZSNUPZRCPK-UHFFFAOYSA-N
XLogP4.40
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.98
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);carbon monoxide;cobalt;cyclohexane
CID 139129017
1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide
CID 24798960
dicopper;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);carbon monoxide;bis(cyclopenta-1,3-diene);heptane;iron;sulfanylidenemethanethiolate
CID 139141940
1-but-3-enyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide
CID 139170193
CID 166443693
CID 166443693
1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium tetrafluoroborate
CID 15535038
4,5-dibromo-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide
CID 139175317
2-iodo-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium bromide
CID 156773599
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide);chlorogold;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;gold
CID 162285775
1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
CID 122228843
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]phosphane
CID 102349812
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-amine
CID 102142824

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+) (CID 171157426) is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+).
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+) is Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.[Cu+].
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)?
The InChIKey is OWYMZSNUPZRCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2.Cu/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-12H,1-6H3;/q;+1.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+)?
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+) has a molecular weight of 367.98 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide;copper(1+) is sourced from PubChem (CID 171157426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).