tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide

C182H202N42O4S4 — CID 159596813

About tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide

tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide (PubChem CID 159596813) has the molecular formula C182H202N42O4S4 and a molecular weight of 3170.18 g/mol. Its IUPAC name is tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide.

Molecular Properties

• Compound Name: tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide
• PubChem CID: 159596813
• Molecular Formula: C182H202N42O4S4
• Molecular Weight: 3170.18 g/mol
• Exact Mass: 3167.58
• IUPAC Name: tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide
• SMILES: CC1=CC=CS1=O.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnc2ccccc12.Cc1ccnn1C.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1cnn(C)c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1nncn1C.Cc1nnn(C)n1
• InChI: InChI=1S/2C10H9N.2C9H8N2.C9H9N.2C9H8O.2C9H8S.3C8H8N2.C8H7NO.C8H7NS.C7H6N4.C6H9N.6C5H8N2.C5H6OS.2C4H7N3.C3H6N4/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;2*1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;5*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5;3*1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-3-2-4-7(5)6;1-4-6-5-3-7(4)2;1-4-5-3-7(2)6-4;1-3-4-6-7(2)5-3/h2*2-7H,1H3;2*2-6H,1H3;2-6,10H,1H3;4*2-6H,1H3;3*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-5H,1-2H3;6*3-4H,1-2H3;2-4H,1H3;2*3H,1-2H3;1-2H3
• InChIKey: MKYLIELLCOXXIF-UHFFFAOYSA-N
• XLogP: 41.06
• TPSA: 529.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3170.18
LogP ≤ 5	41.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?

The IUPAC name of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide (CID 159596813) is tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide.

What is the SMILES notation for tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?

The canonical SMILES for tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide is CC1=CC=CS1=O.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cccn1C.Cc1ccn(C)n1.Cc1ccnc2ccccc12.Cc1ccnn1C.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1cnn(C)c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1nncn1C.Cc1nnn(C)n1.

What is the InChIKey of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?

The InChIKey is MKYLIELLCOXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.2C9H8N2.C9H9N.2C9H8O.2C9H8S.3C8H8N2.C8H7NO.C8H7NS.C7H6N4.C6H9N.6C5H8N2.C5H6OS.2C4H7N3.C3H6N4/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;2*1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;5*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5;3*1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-3-2-4-7(5)6;1-4-6-5-3-7(4)2;1-4-5-3-7(2)6-4;1-3-4-6-7(2)5-3/h2*2-7H,1H3;2*2-6H,1H3;2-6,10H,1H3;4*2-6H,1H3;3*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-5H,1-2H3;6*3-4H,1-2H3;2-4H,1H3;2*3H,1-2H3;1-2H3.

What are the key properties of tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide?

tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide has a molecular weight of 3170.18 g/mol, XLogP of 41.06, 0 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1,2-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;tris(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1H-indole;3-methylpyrazino[2,3-b]pyrazine;2-methylquinazoline;3-methylquinoline;4-methylquinoline;2-methylquinoxaline;2-methylthiophene 1-oxide is sourced from PubChem (CID 159596813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).