2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)

C26H30N4Pt — CID 58401774

IUPAC2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)
SMILESCc1ccc[c-]c1-c1cn(C(C)C)cn1.Cc1ccc[c-]c1C1=NC(C(C)C)C=N1.[Pt+2]
InChIInChI=1S/2C13H15N2.Pt/c1-10(2)15-8-13(14-9-15)12-7-5-4-6-11(12)3;1-9(2)12-8-14-13(15-12)11-7-5-4-6-10(11)3;/h4-6,8-10H,1-3H3;4-6,8-9,12H,1-3H3;/q2*-1;+2
InChIKeyKBNWLEVCTTVKEI-UHFFFAOYSA-N
MW593.63 g/mol
LogP5.89
Rot. Bonds4

About 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)

2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+) (PubChem CID 58401774) has the molecular formula C26H30N4Pt and a molecular weight of 593.63 g/mol. Its IUPAC name is 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+).

Molecular Properties

Compound Name2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)
PubChem CID58401774
Molecular FormulaC26H30N4Pt
Molecular Weight593.63 g/mol
Exact Mass593.21
IUPAC Name2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)
SMILESCc1ccc[c-]c1-c1cn(C(C)C)cn1.Cc1ccc[c-]c1C1=NC(C(C)C)C=N1.[Pt+2]
InChIInChI=1S/2C13H15N2.Pt/c1-10(2)15-8-13(14-9-15)12-7-5-4-6-11(12)3;1-9(2)12-8-14-13(15-12)11-7-5-4-6-10(11)3;/h4-6,8-10H,1-3H3;4-6,8-9,12H,1-3H3;/q2*-1;+2
InChIKeyKBNWLEVCTTVKEI-UHFFFAOYSA-N
XLogP5.89
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.63
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(1Z)-buta-1,3-dienyl]-7-ethenyl-5-[2-(1-fluoro-4-methylcyclohexyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
CID 132218385
(2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine
CID 134291827
4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine
CID 134292061
7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole
CID 139334402
5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole
CID 142611000
1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole
CID 143163437
5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole
CID 146809141
(5E)-2-[1-(2,2-difluoroethyl)piperidin-4-yl]-5-[(2E)-3-(2,3-dimethylimidazol-4-yl)penta-2,4-dienylidene]-4H-pyridine
CID 166954615
1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole
CID 102297528
5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole
CID 14403477
1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
CID 14403478
1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
CID 14403479

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)?
The IUPAC name of 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+) (CID 58401774) is 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+).
What is the SMILES notation for 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)?
The canonical SMILES for 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+) is Cc1ccc[c-]c1-c1cn(C(C)C)cn1.Cc1ccc[c-]c1C1=NC(C(C)C)C=N1.[Pt+2].
What is the InChIKey of 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)?
The InChIKey is KBNWLEVCTTVKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N2.Pt/c1-10(2)15-8-13(14-9-15)12-7-5-4-6-11(12)3;1-9(2)12-8-14-13(15-12)11-7-5-4-6-10(11)3;/h4-6,8-10H,1-3H3;4-6,8-9,12H,1-3H3;/q2*-1;+2.
What are the key properties of 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+)?
2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+) has a molecular weight of 593.63 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzene-6-id-1-yl)-4-propan-2-yl-4H-imidazole;4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole;platinum(2+) is sourced from PubChem (CID 58401774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).