1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate

C50H64AuN4O3-2 — CID 166009288

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.Cc1ccc(COC(=O)OCCN2C=CN(c3c(C)cc(C)cc3C)[CH-]2)cc1.[Au]
InChIInChI=1S/C27H37N2.C23H27N2O3.Au/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-17-5-7-21(8-6-17)15-28-23(26)27-12-11-24-9-10-25(16-24)22-19(3)13-18(2)14-20(22)4;/h9-21H,1-8H3;5-10,13-14,16H,11-12,15H2,1-4H3;/q2*-1;
InChIKeyGBSFPZFYDJXVKR-UHFFFAOYSA-N
MW966.05 g/mol
LogP13.08
Rot. Bonds12

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate (PubChem CID 166009288) has the molecular formula C50H64AuN4O3-2 and a molecular weight of 966.05 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate
PubChem CID166009288
Molecular FormulaC50H64AuN4O3-2
Molecular Weight966.05 g/mol
Exact Mass965.47
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.Cc1ccc(COC(=O)OCCN2C=CN(c3c(C)cc(C)cc3C)[CH-]2)cc1.[Au]
InChIInChI=1S/C27H37N2.C23H27N2O3.Au/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-17-5-7-21(8-6-17)15-28-23(26)27-12-11-24-9-10-25(16-24)22-19(3)13-18(2)14-20(22)4;/h9-21H,1-8H3;5-10,13-14,16H,11-12,15H2,1-4H3;/q2*-1;
InChIKeyGBSFPZFYDJXVKR-UHFFFAOYSA-N
XLogP13.08
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.05
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate with MolForge

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Related Compounds

potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide
CID 138962600
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide
CID 177476772
iodo (4-methylphenyl)methyl carbonate
CID 170151158
4-[(4-methylphenyl)methylperoxymethyl]-2,6-di(propan-2-yl)phenol
CID 59712642
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]acetamide
CID 171378161
bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)
CID 22836588
benzyl 3-hydroxybutyl carbonate
CID 15121666
(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
CID 91471476
(4-methylphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
CID 66771564

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate (CID 166009288) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.Cc1ccc(COC(=O)OCCN2C=CN(c3c(C)cc(C)cc3C)[CH-]2)cc1.[Au].
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate?
The InChIKey is GBSFPZFYDJXVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N2.C23H27N2O3.Au/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-17-5-7-21(8-6-17)15-28-23(26)27-12-11-24-9-10-25(16-24)22-19(3)13-18(2)14-20(22)4;/h9-21H,1-8H3;5-10,13-14,16H,11-12,15H2,1-4H3;/q2*-1;.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate has a molecular weight of 966.05 g/mol, XLogP of 13.08, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;(4-methylphenyl)methyl 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]ethyl carbonate is sourced from PubChem (CID 166009288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).