4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)

C22H22N4O2Pt — CID 58401613

IUPAC4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)
SMILESCOc1ccc[c-]c1-c1cn(C)cn1.Cn1cnc(-c2[c-]cccc2CO)c1.[Pt+2]
InChIInChI=1S/2C11H11N2O.Pt/c1-13-7-10(12-8-13)9-5-3-4-6-11(9)14-2;1-13-6-11(12-8-13)10-5-3-2-4-9(10)7-14;/h3-4,6-8H,1-2H3;2-4,6,8,14H,7H2,1H3;/q2*-1;+2
InChIKeyQNSQNIZLZJFQHQ-UHFFFAOYSA-N
MW569.52 g/mol
LogP3.27
Rot. Bonds4

About 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)

4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) (PubChem CID 58401613) has the molecular formula C22H22N4O2Pt and a molecular weight of 569.52 g/mol. Its IUPAC name is 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+).

Molecular Properties

Compound Name4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)
PubChem CID58401613
Molecular FormulaC22H22N4O2Pt
Molecular Weight569.52 g/mol
Exact Mass569.14
IUPAC Name4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)
SMILESCOc1ccc[c-]c1-c1cn(C)cn1.Cn1cnc(-c2[c-]cccc2CO)c1.[Pt+2]
InChIInChI=1S/2C11H11N2O.Pt/c1-13-7-10(12-8-13)9-5-3-4-6-11(9)14-2;1-13-6-11(12-8-13)10-5-3-2-4-9(10)7-14;/h3-4,6-8H,1-2H3;2-4,6,8,14H,7H2,1H3;/q2*-1;+2
InChIKeyQNSQNIZLZJFQHQ-UHFFFAOYSA-N
XLogP3.27
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
Bis([2-(1,5-dimethylimidazol-4-yl)benzene-3-id-1-yl]methanol);iridium(3+);4-(2-methoxybenzene-6-id-1-yl)-1,5-dimethylimidazole
CID 58401758
bis([2-(1,5-dimethylimidazol-4-yl)benzene-3-id-1-yl]methanol);iridium(3+);2-(2-methoxybenzene-6-id-1-yl)-3,4-dimethyl-4H-imidazol-3-ium
CID 58401784
Iridium(3+);bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);2-(1-propan-2-ylimidazol-4-yl)benzene-3-id-1-ol
CID 59661384
Bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661433
1-methyl-3-[3-(1-methylimidazol-4-yl)-6H-cyclopenta[f][1]benzofuran-5-yl]-2H-imidazol-1-ium-2-ide
CID 161638904

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)?
The IUPAC name of 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) (CID 58401613) is 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+).
What is the SMILES notation for 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)?
The canonical SMILES for 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) is COc1ccc[c-]c1-c1cn(C)cn1.Cn1cnc(-c2[c-]cccc2CO)c1.[Pt+2].
What is the InChIKey of 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)?
The InChIKey is QNSQNIZLZJFQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N2O.Pt/c1-13-7-10(12-8-13)9-5-3-4-6-11(9)14-2;1-13-6-11(12-8-13)10-5-3-2-4-9(10)7-14;/h3-4,6-8H,1-2H3;2-4,6,8,14H,7H2,1H3;/q2*-1;+2.
What are the key properties of 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)?
4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) has a molecular weight of 569.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+) is sourced from PubChem (CID 58401613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).