2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum

C33H26N3OPt- — CID 164742518

About 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum

2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum (PubChem CID 164742518) has the molecular formula C33H26N3OPt- and a molecular weight of 675.67 g/mol. Its IUPAC name is 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum
• PubChem CID: 164742518
• Molecular Formula: C33H26N3OPt-
• Molecular Weight: 675.67 g/mol
• Exact Mass: 675.17
• IUPAC Name: 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum
• SMILES: CC(c1ccccc1)c1cccc(O)c1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2n1C.[Pt]
• InChI: InChI=1S/C33H26N3O.Pt/c1-22(23-11-4-3-5-12-23)26-15-10-19-30(37)31(26)33-35-32-27(16-9-18-29(32)36(33)2)24-13-8-14-25(21-24)28-17-6-7-20-34-28;/h3-20,22,37H,1-2H3;/q-1
• InChIKey: ODNZTXWUMDBKDV-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.67
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

The IUPAC name of 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum (CID 164742518) is 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum.

What is the SMILES notation for 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

The canonical SMILES for 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum is CC(c1ccccc1)c1cccc(O)c1-c1nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc2n1C.[Pt].

What is the InChIKey of 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

The InChIKey is ODNZTXWUMDBKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N3O.Pt/c1-22(23-11-4-3-5-12-23)26-15-10-19-30(37)31(26)33-35-32-27(16-9-18-29(32)36(33)2)24-13-8-14-25(21-24)28-17-6-7-20-34-28;/h3-20,22,37H,1-2H3;/q-1;.

What are the key properties of 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum?

2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum has a molecular weight of 675.67 g/mol, XLogP of 7.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum is sourced from PubChem (CID 164742518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).