1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene

C35H48N12OS — CID 165083047

About 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene

1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene (PubChem CID 165083047) has the molecular formula C35H48N12OS and a molecular weight of 684.92 g/mol. Its IUPAC name is 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene.

Molecular Properties

• Compound Name: 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene
• PubChem CID: 165083047
• Molecular Formula: C35H48N12OS
• Molecular Weight: 684.92 g/mol
• Exact Mass: 684.38
• IUPAC Name: 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene
• SMILES: Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1ccnc1
• InChI: InChI=1S/C6H7N.C5H6S.5C4H6N2.C4H5NO/c1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;1-4-2-5-3-6-4;2*1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4/h2-5H,1H3;2-4H,1H3;3*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3
• InChIKey: VKZPEXVWOHQUPA-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 171.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.92
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene?

The IUPAC name of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene (CID 165083047) is 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene.

What is the SMILES notation for 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene?

The canonical SMILES for 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene is Cc1cccs1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1ccnc1.

What is the InChIKey of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene?

The InChIKey is VKZPEXVWOHQUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H6S.5C4H6N2.C4H5NO/c1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;1-4-2-5-3-6-4;2*1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4/h2-5H,1H3;2-4H,1H3;3*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3.

What are the key properties of 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene?

1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene has a molecular weight of 684.92 g/mol, XLogP of 7.72, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene is sourced from PubChem (CID 165083047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).