4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide

C41H26N14OPt4S-4 — CID 160589730

IUPAC4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
SMILESO=c1cc[n-]c(-c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C11H7N4.C10H6N5.C10H6N3S.C10H8N2O.4Pt/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;/h1-7H;1-6H;1-6H;1-7H,(H,12,13);;;;/q3*-1;;;;;/p-1
InChIKeyJPQWLBNOLVLOAF-UHFFFAOYSA-M
MW1543.13 g/mol
LogP6.06
Rot. Bonds4

About 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide

4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide (PubChem CID 160589730) has the molecular formula C41H26N14OPt4S-4 and a molecular weight of 1543.13 g/mol. Its IUPAC name is 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide.

Molecular Properties

Compound Name4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
PubChem CID160589730
Molecular FormulaC41H26N14OPt4S-4
Molecular Weight1543.13 g/mol
Exact Mass1542.07
IUPAC Name4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
SMILESO=c1cc[n-]c(-c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C11H7N4.C10H6N5.C10H6N3S.C10H8N2O.4Pt/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;/h1-7H;1-6H;1-6H;1-7H,(H,12,13);;;;/q3*-1;;;;;/p-1
InChIKeyJPQWLBNOLVLOAF-UHFFFAOYSA-M
XLogP6.06
TPSA202.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.13
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
The IUPAC name of 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide (CID 160589730) is 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide.
What is the SMILES notation for 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
The canonical SMILES for 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide is O=c1cc[n-]c(-c2ccccn2)c1.[Pt].[Pt].[Pt].[Pt].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
The InChIKey is JPQWLBNOLVLOAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7N4.C10H6N5.C10H6N3S.C10H8N2O.4Pt/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;/h1-7H;1-6H;1-6H;1-7H,(H,12,13);;;;/q3*-1;;;;;/p-1.
What are the key properties of 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?
4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide has a molecular weight of 1543.13 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide is sourced from PubChem (CID 160589730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).