1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene

C154H217N45O7S7 — CID 167548631

About 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene

1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 167548631) has the molecular formula C154H217N45O7S7 and a molecular weight of 3035.21 g/mol. Its IUPAC name is 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

• Compound Name: 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
• PubChem CID: 167548631
• Molecular Formula: C154H217N45O7S7
• Molecular Weight: 3035.21 g/mol
• Exact Mass: 3032.61
• IUPAC Name: 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
• SMILES: C=S1C=CC(C)=C1.CC1=CCC=N1.CC1=CCC=N1.CC1=CCN=C1.CC1=NCC=C1.CC1=NCC=N1.CC1=NCN=C1.CC1=NCN=C1.Cc1cccn1C.Cc1cccs1.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1ccno1.Cc1ccoc1.Cc1ccsn1.Cc1cn(C)cn1.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cc1nccs1.Cc1ncno1.Cc1ncon1.Cn1cccc1.Cn1cccn1.Cn1ccnc1
• InChI: InChI=1S/3C6H9N.C6H8S.5C5H8N2.5C5H7N.C5H6O.C5H6S.7C4H6N2.4C4H5NO.5C4H5NS.2C3H4N2O/c2*1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-3-4-7(2)5-6;2*1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-2-3-6-4-5;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;3*1-4-5-2-3-6-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;3*1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-3-4-2-6-5-3;1-3-4-2-5-6-3/h3*3-5H,1-2H3;3-5H,2H2,1H3;5*3-4H,1-2H3;2,4H,3H2,1H3;2-5H,1H3;2*3-4H,2H2,1H3;2-3H,4H2,1H3;2*2-4H,1H3;2*2H,3H2,1H3;2*2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3,(H,5,6);9*2-3H,1H3;2*2H,1H3
• InChIKey: CCUPHNPQIHDCPY-UHFFFAOYSA-N
• XLogP: 34.88
• TPSA: 584.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 56
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3035.21
LogP ≤ 5	34.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

The IUPAC name of 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene (CID 167548631) is 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene.

What is the SMILES notation for 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

The canonical SMILES for 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene is C=S1C=CC(C)=C1.CC1=CCC=N1.CC1=CCC=N1.CC1=CCN=C1.CC1=NCC=C1.CC1=NCC=N1.CC1=NCN=C1.CC1=NCN=C1.Cc1cccn1C.Cc1cccs1.Cc1ccn(C)c1.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1ccno1.Cc1ccoc1.Cc1ccsn1.Cc1cn(C)cn1.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cc1nccs1.Cc1ncno1.Cc1ncon1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.

What is the InChIKey of 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

The InChIKey is CCUPHNPQIHDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9N.C6H8S.5C5H8N2.5C5H7N.C5H6O.C5H6S.7C4H6N2.4C4H5NO.5C4H5NS.2C3H4N2O/c2*1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-3-4-7(2)5-6;2*1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-2-3-6-4-5;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;3*1-4-5-2-3-6-4;1-4-2-5-3-6-4;2*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;3*1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-3-4-2-6-5-3;1-3-4-2-5-6-3/h3*3-5H,1-2H3;3-5H,2H2,1H3;5*3-4H,1-2H3;2,4H,3H2,1H3;2-5H,1H3;2*3-4H,2H2,1H3;2-3H,4H2,1H3;2*2-4H,1H3;2*2H,3H2,1H3;2*2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3,(H,5,6);9*2-3H,1H3;2*2H,1H3.

What are the key properties of 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 3035.21 g/mol, XLogP of 34.88, 0 rotatable bonds, 2 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 167548631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).