bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole

C94H173N25O3S2 — CID 158449261

About bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole

bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole (PubChem CID 158449261) has the molecular formula C94H173N25O3S2 and a molecular weight of 1765.72 g/mol. Its IUPAC name is bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole.

Molecular Properties

• Compound Name: bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole
• PubChem CID: 158449261
• Molecular Formula: C94H173N25O3S2
• Molecular Weight: 1765.72 g/mol
• Exact Mass: 1764.36
• IUPAC Name: bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.Cc1ccco1.Cc1ccn(C)c1C.Cc1nccn1C.Cc1nccn1C.Cc1nccs1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1cccn1.Cn1cccn1.Cn1ccn(C)c1=O.Cn1ccnn1.c1ccncc1.c1ccncc1.c1ccncc1.c1cocn1
• InChI: InChI=1S/C7H11N.C5H8N2O.2C5H8N2.C5H7N.3C5H5N.C5H6O.4C4H6N2.2C4H5NS.C3H5N3.C3H3NO.17CH4/c1-6-4-5-8(3)7(6)2;1-6-3-4-7(2)5(6)8;2*1-5-6-3-4-7(5)2;1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;1-5-3-2-4-6-5;4*1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-2-4-5-6;1-2-5-3-4-1;;;;;;;;;;;;;;;;;/h4-5H,1-3H3;3-4H,1-2H3;2*3-4H,1-2H3;2-5H,1H3;3*1-5H;5*2-4H,1H3;3*2-3H,1H3;1-3H;17*1H4
• InChIKey: HDTVPBWHWQHBQP-UHFFFAOYSA-N
• XLogP: 24.57
• TPSA: 278.04 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.72
LogP ≤ 5	24.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole?

The IUPAC name of bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole (CID 158449261) is bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole.

What is the SMILES notation for bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole?

The canonical SMILES for bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.Cc1ccco1.Cc1ccn(C)c1C.Cc1nccn1C.Cc1nccn1C.Cc1nccs1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1cccn1.Cn1cccn1.Cn1ccn(C)c1=O.Cn1ccnn1.c1ccncc1.c1ccncc1.c1ccncc1.c1cocn1.

What is the InChIKey of bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole?

The InChIKey is HDTVPBWHWQHBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C5H8N2O.2C5H8N2.C5H7N.3C5H5N.C5H6O.4C4H6N2.2C4H5NS.C3H5N3.C3H3NO.17CH4/c1-6-4-5-8(3)7(6)2;1-6-3-4-7(2)5(6)8;2*1-5-6-3-4-7(5)2;1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;1-5-3-2-4-6-5;4*1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-2-4-5-6;1-2-5-3-4-1;;;;;;;;;;;;;;;;;/h4-5H,1-3H3;3-4H,1-2H3;2*3-4H,1-2H3;2-5H,1H3;3*1-5H;5*2-4H,1H3;3*2-3H,1H3;1-3H;17*1H4.

What are the key properties of bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole?

bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole has a molecular weight of 1765.72 g/mol, XLogP of 24.57, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2-dimethylimidazole);1,3-dimethylimidazol-2-one;methane;2-methylfuran;tetrakis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1-methyltriazole;1,3-oxazole;tris(pyridine);1,2,3-trimethylpyrrole is sourced from PubChem (CID 158449261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).