4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one

C34H24N6O — CID 172507709

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one (PubChem CID 172507709) has the molecular formula C34H24N6O and a molecular weight of 532.61 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one
• PubChem CID: 172507709
• Molecular Formula: C34H24N6O
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.20
• IUPAC Name: 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one
• SMILES: Cn1c(=O)n(-c2ccccn2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21
• InChI: InChI=1S/C34H24N6O/c1-39-30-27(15-10-16-28(30)40(34(39)41)29-17-8-9-22-35-29)23-18-20-26(21-19-23)33-37-31(24-11-4-2-5-12-24)36-32(38-33)25-13-6-3-7-14-25/h2-22H,1H3
• InChIKey: DHTHLCGMNMUADC-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 78.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one?

The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one (CID 172507709) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one.

What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one?

The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one is Cn1c(=O)n(-c2ccccn2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.

What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one?

The InChIKey is DHTHLCGMNMUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N6O/c1-39-30-27(15-10-16-28(30)40(34(39)41)29-17-8-9-22-35-29)23-18-20-26(21-19-23)33-37-31(24-11-4-2-5-12-24)36-32(38-33)25-13-6-3-7-14-25/h2-22H,1H3.

What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one?

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one has a molecular weight of 532.61 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one is sourced from PubChem (CID 172507709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).