2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)

C98H148N28O3S2 — CID 158636925

About 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)

2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole) (PubChem CID 158636925) has the molecular formula C98H148N28O3S2 and a molecular weight of 1830.59 g/mol. Its IUPAC name is 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole).

Molecular Properties

• Compound Name: 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)
• PubChem CID: 158636925
• Molecular Formula: C98H148N28O3S2
• Molecular Weight: 1830.59 g/mol
• Exact Mass: 1829.17
• IUPAC Name: 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)
• SMILES: C.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(C)n1.Cc1ccn(C)c1C.Cc1ccn(C)c1C.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccnc(C)c1C.Cc1ccnn1C.Cc1ccnn1C.Cc1ccoc1C.Cc1nccn1C.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cn1ccn(C)c1=O.Cn1ccnn1.Cn1ccnn1
• InChI: InChI=1S/3C8H11N.2C7H11N.C6H8O.C5H8N2O.6C5H8N2.C4H5NO.2C4H5NS.2C3H5N3.CH4/c1-6-4-5-9-8(3)7(6)2;2*1-6-4-5-7(2)9-8(6)3;2*1-6-4-5-8(3)7(6)2;1-5-3-4-7-6(5)2;1-6-3-4-7(2)5(6)8;2*1-5-6-3-4-7(5)2;2*1-5-3-4-7(2)6-5;2*1-5-3-4-6-7(5)2;3*1-4-5-2-3-6-4;2*1-6-3-2-4-5-6;/h3*4-5H,1-3H3;2*4-5H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;6*3-4H,1-2H3;5*2-3H,1H3;1H4
• InChIKey: HZWPTKPDLPZSSA-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 308.75 Ų
• H-Bond Acceptors: 33
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.59
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)?

The IUPAC name of 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole) (CID 158636925) is 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole).

What is the SMILES notation for 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)?

The canonical SMILES for 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole) is C.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(C)n1.Cc1ccn(C)c1C.Cc1ccn(C)c1C.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccnc(C)c1C.Cc1ccnn1C.Cc1ccnn1C.Cc1ccoc1C.Cc1nccn1C.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cn1ccn(C)c1=O.Cn1ccnn1.Cn1ccnn1.

What is the InChIKey of 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)?

The InChIKey is HZWPTKPDLPZSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.2C7H11N.C6H8O.C5H8N2O.6C5H8N2.C4H5NO.2C4H5NS.2C3H5N3.CH4/c1-6-4-5-9-8(3)7(6)2;2*1-6-4-5-7(2)9-8(6)3;2*1-6-4-5-8(3)7(6)2;1-5-3-4-7-6(5)2;1-6-3-4-7(2)5(6)8;2*1-5-6-3-4-7(5)2;2*1-5-3-4-7(2)6-5;2*1-5-3-4-6-7(5)2;3*1-4-5-2-3-6-4;2*1-6-3-2-4-5-6;/h3*4-5H,1-3H3;2*4-5H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;6*3-4H,1-2H3;5*2-3H,1H3;1H4.

What are the key properties of 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole)?

2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole) has a molecular weight of 1830.59 g/mol, XLogP of 19.45, 0 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylfuran;bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;bis(1,3-dimethylpyrazole);bis(1,5-dimethylpyrazole);methane;2-methyl-1,3-oxazole;bis(2-methyl-1,3-thiazole);bis(1-methyltriazole);2,3,4-trimethylpyridine;bis(2,3,6-trimethylpyridine);bis(1,2,3-trimethylpyrrole) is sourced from PubChem (CID 158636925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).