1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum

C17H21N2O2Pt- — CID 58401346

IUPAC1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
SMILESCC(=O)/C(C)=C(/C)O.Cc1c(-c2[c-]cccc2)ncn1C.[Pt]
InChIInChI=1S/C11H11N2.C6H10O2.Pt/c1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-4(5(2)7)6(3)8;/h3-6,8H,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyKRENUYRQIKAJQY-FXHNQCOHSA-N
MW480.45 g/mol
LogP3.62
Rot. Bonds2

About 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum

1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum (PubChem CID 58401346) has the molecular formula C17H21N2O2Pt- and a molecular weight of 480.45 g/mol. Its IUPAC name is 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum.

Molecular Properties

Compound Name1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
PubChem CID58401346
Molecular FormulaC17H21N2O2Pt-
Molecular Weight480.45 g/mol
Exact Mass480.13
IUPAC Name1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
SMILESCC(=O)/C(C)=C(/C)O.Cc1c(-c2[c-]cccc2)ncn1C.[Pt]
InChIInChI=1S/C11H11N2.C6H10O2.Pt/c1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-4(5(2)7)6(3)8;/h3-6,8H,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyKRENUYRQIKAJQY-FXHNQCOHSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 53.62
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'}

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-4-phenylimidazole
CID 57596135
1,5-Dimethyl-4-phenylimidazole;iridium
CID 57596136
4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57596158
4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
CID 59661574
2-[3-(4,5-Dihydrobenzimidazol-1-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 144710548

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
The IUPAC name of 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum (CID 58401346) is 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum.
What is the SMILES notation for 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
The canonical SMILES for 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum is CC(=O)/C(C)=C(/C)O.Cc1c(-c2[c-]cccc2)ncn1C.[Pt].
What is the InChIKey of 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
The InChIKey is KRENUYRQIKAJQY-FXHNQCOHSA-N. The full InChI is InChI=1S/C11H11N2.C6H10O2.Pt/c1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-4(5(2)7)6(3)8;/h3-6,8H,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;.
What are the key properties of 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum?
1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum has a molecular weight of 480.45 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-phenylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum is sourced from PubChem (CID 58401346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).