2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)

C18H23N2O4Pt+ — CID 59661451

IUPAC2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2[n-]cc[n+]2C)c(OC)c1.[Pt+2]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-4(5(2)7)6(3)8;/h4,6-8H,1-3H3;7H,1-3H3;/q-1;;+2/b;5-4-;
InChIKeyRDWZTGGTHLEDJX-FXHNQCOHSA-N
MW526.47 g/mol
LogP2.38
Rot. Bonds4

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+) (PubChem CID 59661451) has the molecular formula C18H23N2O4Pt+ and a molecular weight of 526.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+).

Molecular Properties

Compound Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)
PubChem CID59661451
Molecular FormulaC18H23N2O4Pt+
Molecular Weight526.47 g/mol
Exact Mass526.13
IUPAC Name2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2[n-]cc[n+]2C)c(OC)c1.[Pt+2]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-4(5(2)7)6(3)8;/h4,6-8H,1-3H3;7H,1-3H3;/q-1;;+2/b;5-4-;
InChIKeyRDWZTGGTHLEDJX-FXHNQCOHSA-N
XLogP2.38
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Bis(1-butyl-2-[4-(trifluoromethoxy)benzene-6-id-1-yl]imidazole);4-hydroxypent-3-en-2-one;bis(iridium)
CID 158704011
(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-phenylimidazole
CID 57596145
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 57596154
2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57596156
(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole;cyanide
CID 57973054
Iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
CID 58202900
(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401306
(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum
CID 58401352
(Z)-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58517963
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769491
Bis(2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661441
Bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661525

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)?
The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+) (CID 59661451) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+).
What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)?
The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+) is CC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2[n-]cc[n+]2C)c(OC)c1.[Pt+2].
What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)?
The InChIKey is RDWZTGGTHLEDJX-FXHNQCOHSA-N. The full InChI is InChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-4(5(2)7)6(3)8;/h4,6-8H,1-3H3;7H,1-3H3;/q-1;;+2/b;5-4-;.
What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)?
2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+) has a molecular weight of 526.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+) is sourced from PubChem (CID 59661451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).