4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum

C18H23N2O4Pt- — CID 59661574

IUPAC4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.[Pt]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-7-11(13-8-14)10-5-4-9(15-2)6-12(10)16-3;1-4(5(2)7)6(3)8;/h4,6-8H,1-3H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyLMWZFADAOAPTHD-FXHNQCOHSA-N
MW526.47 g/mol
LogP3.33
Rot. Bonds4

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

4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum (PubChem CID 59661574) has the molecular formula C18H23N2O4Pt- and a molecular weight of 526.47 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum.

Molecular Properties

Compound Name4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
PubChem CID59661574
Molecular FormulaC18H23N2O4Pt-
Molecular Weight526.47 g/mol
Exact Mass526.13
IUPAC Name4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.[Pt]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-7-11(13-8-14)10-5-4-9(15-2)6-12(10)16-3;1-4(5(2)7)6(3)8;/h4,6-8H,1-3H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyLMWZFADAOAPTHD-FXHNQCOHSA-N
XLogP3.33
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-4-phenylimidazole
CID 57596135
4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57596158
1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
CID 58401346
4-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)
CID 58401558
(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401612
4-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum(2+)
CID 59661381
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
The IUPAC name of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum (CID 59661574) is 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum.
What is the SMILES notation for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
The canonical SMILES for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum is CC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.[Pt].
What is the InChIKey of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
The InChIKey is LMWZFADAOAPTHD-FXHNQCOHSA-N. The full InChI is InChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-7-11(13-8-14)10-5-4-9(15-2)6-12(10)16-3;1-4(5(2)7)6(3)8;/h4,6-8H,1-3H3;7H,1-3H3;/q-1;;/b;5-4-;.
What are the key properties of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum has a molecular weight of 526.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum is sourced from PubChem (CID 59661574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).