1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine

C103H71N21O2S6 — CID 160536951

About 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine

1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine (PubChem CID 160536951) has the molecular formula C103H71N21O2S6 and a molecular weight of 1827.25 g/mol. Its IUPAC name is 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine
• PubChem CID: 160536951
• Molecular Formula: C103H71N21O2S6
• Molecular Weight: 1827.25 g/mol
• Exact Mass: 1825.44
• IUPAC Name: 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine
• SMILES: C(#Cc1cccs1)c1ccccc1.C(#Cc1cccs1)c1ncncn1.C(#Cc1ccncc1)c1ccccc1.C(#Cc1ccns1)c1ccns1.C(#Cc1ncccn1)c1ccccc1.C(#Cc1ncco1)c1ncco1.C(#Cc1nccs1)c1nccs1.C(#Cc1ncncn1)c1ccccc1.Cn1cccc1C#Cc1cccn1C.Cn1ccnc1C#Cc1nccn1C
• InChI: InChI=1S/C13H9N.C12H12N2.C12H8N2.C12H8S.C11H7N3.C10H10N4.C9H5N3S.C8H4N2O2.2C8H4N2S2/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-13-9-3-5-11(13)7-8-12-6-4-10-14(12)2;1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12;1-2-5-11(6-3-1)8-9-12-7-4-10-13-12;1-2-4-10(5-3-1)6-7-11-13-8-12-9-14-11;1-13-7-5-11-9(13)3-4-10-12-6-8-14(10)2;1-2-8(13-5-1)3-4-9-11-6-10-7-12-9;2*1(7-9-3-5-11-7)2-8-10-4-6-12-8;1(7-3-5-9-11-7)2-8-4-6-10-12-8/h1-5,8-11H;3-6,9-10H,1-2H3;1-6,9-10H;1-7,10H;1-5,8-9H;5-8H,1-2H3;1-2,5-7H;3*3-6H
• InChIKey: QWGWNQZCCZTNSI-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 265.13 Ų
• H-Bond Acceptors: 29
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1827.25
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine?

The IUPAC name of 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine (CID 160536951) is 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine.

What is the SMILES notation for 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine?

The canonical SMILES for 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine is C(#Cc1cccs1)c1ccccc1.C(#Cc1cccs1)c1ncncn1.C(#Cc1ccncc1)c1ccccc1.C(#Cc1ccns1)c1ccns1.C(#Cc1ncccn1)c1ccccc1.C(#Cc1ncco1)c1ncco1.C(#Cc1nccs1)c1nccs1.C(#Cc1ncncn1)c1ccccc1.Cn1cccc1C#Cc1cccn1C.Cn1ccnc1C#Cc1nccn1C.

What is the InChIKey of 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine?

The InChIKey is QWGWNQZCCZTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C12H12N2.C12H8N2.C12H8S.C11H7N3.C10H10N4.C9H5N3S.C8H4N2O2.2C8H4N2S2/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-13-9-3-5-11(13)7-8-12-6-4-10-14(12)2;1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12;1-2-5-11(6-3-1)8-9-12-7-4-10-13-12;1-2-4-10(5-3-1)6-7-11-13-8-12-9-14-11;1-13-7-5-11-9(13)3-4-10-12-6-8-14(10)2;1-2-8(13-5-1)3-4-9-11-6-10-7-12-9;2*1(7-9-3-5-11-7)2-8-10-4-6-12-8;1(7-3-5-9-11-7)2-8-4-6-10-12-8/h1-5,8-11H;3-6,9-10H,1-2H3;1-6,9-10H;1-7,10H;1-5,8-9H;5-8H,1-2H3;1-2,5-7H;3*3-6H.

What are the key properties of 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine?

1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine has a molecular weight of 1827.25 g/mol, XLogP of 17.49, 0 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole;1-methyl-2-[2-(1-methylpyrrol-2-yl)ethynyl]pyrrole;2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole;4-(2-phenylethynyl)pyridine;2-(2-phenylethynyl)pyrimidine;2-(2-phenylethynyl)thiophene;2-(2-phenylethynyl)-1,3,5-triazine;2-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-thiazole;5-[2-(1,2-thiazol-5-yl)ethynyl]-1,2-thiazole;2-(2-thiophen-2-ylethynyl)-1,3,5-triazine is sourced from PubChem (CID 160536951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).