1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)

C21H20N4Pt — CID 58163118

IUPAC1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
SMILESCc1cc[c-]c(-c2nccn2C)c1.Cn1ccnc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C11H11N2.C10H9N2.Pt/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-4,6-8H,1-2H3;2-5,7-8H,1H3;/q2*-1;+2
InChIKeyWQYVCWHRHBUCNV-UHFFFAOYSA-N
MW523.50 g/mol
LogP4.08
Rot. Bonds2

About 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)

1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+) (PubChem CID 58163118) has the molecular formula C21H20N4Pt and a molecular weight of 523.50 g/mol. Its IUPAC name is 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+).

Molecular Properties

Compound Name1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
PubChem CID58163118
Molecular FormulaC21H20N4Pt
Molecular Weight523.50 g/mol
Exact Mass523.13
IUPAC Name1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
SMILESCc1cc[c-]c(-c2nccn2C)c1.Cn1ccnc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C11H11N2.C10H9N2.Pt/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-4,6-8H,1-2H3;2-5,7-8H,1H3;/q2*-1;+2
InChIKeyWQYVCWHRHBUCNV-UHFFFAOYSA-N
XLogP4.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661470
Iridium;1-methyl-2-phenylimidazole;1-phenyl-1,2,4-triazole
CID 57596125
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole
CID 57596149
Iridium;1-methyl-2-phenylimidazole
CID 57596182
3-(1-methylimidazol-2-yl)-2H-pyridin-2-ide;platinum
CID 57746156
Iridium;2-phenyl-1-propan-2-ylimidazole
CID 57873973
(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;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
CID 58220024
2-(2,4-Dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
CID 58401313
Tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 58401368

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)?
The IUPAC name of 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+) (CID 58163118) is 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+).
What is the SMILES notation for 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)?
The canonical SMILES for 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+) is Cc1cc[c-]c(-c2nccn2C)c1.Cn1ccnc1-c1[c-]cccc1.[Pt+2].
What is the InChIKey of 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)?
The InChIKey is WQYVCWHRHBUCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2.C10H9N2.Pt/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-4,6-8H,1-2H3;2-5,7-8H,1H3;/q2*-1;+2.
What are the key properties of 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)?
1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+) has a molecular weight of 523.50 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+) is sourced from PubChem (CID 58163118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).