2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

C57H74N20OS — CID 157077798

About 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 157077798) has the molecular formula C57H74N20OS and a molecular weight of 1087.42 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
• PubChem CID: 157077798
• Molecular Formula: C57H74N20OS
• Molecular Weight: 1087.42 g/mol
• Exact Mass: 1086.61
• IUPAC Name: 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
• SMILES: Cc1cc(C)[nH]n1.Cc1cc2nc(C)[nH]c2cn1.Cc1ccc2[nH]c(C)nc2n1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2nc(C)[nH]c2c1.Cc1n[nH]c(C)n1
• InChI: InChI=1S/C9H10N2.3C8H9N3.2C5H8N2.C5H7NO.C5H7NS.C4H7N3/c1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-7-8(4-9-5)11-6(2)10-7;1-5-3-7-8(9-4-5)11-6(2)10-7;1-5-3-4-7-8(9-5)11-6(2)10-7;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h3-5H,1-2H3,(H,10,11);3-4H,1-2H3,(H,10,11);2*3-4H,1-2H3,(H,9,10,11);2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7)
• InChIKey: ADEGYOOVNQFQIG-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 291.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1087.42
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

The IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (CID 157077798) is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.

What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is Cc1cc(C)[nH]n1.Cc1cc2nc(C)[nH]c2cn1.Cc1ccc2[nH]c(C)nc2n1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2nc(C)[nH]c2c1.Cc1n[nH]c(C)n1.

What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

The InChIKey is ADEGYOOVNQFQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.3C8H9N3.2C5H8N2.C5H7NO.C5H7NS.C4H7N3/c1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-7-8(4-9-5)11-6(2)10-7;1-5-3-7-8(9-4-5)11-6(2)10-7;1-5-3-4-7-8(9-5)11-6(2)10-7;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h3-5H,1-2H3,(H,10,11);3-4H,1-2H3,(H,10,11);2*3-4H,1-2H3,(H,9,10,11);2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7).

What are the key properties of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?

2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 1087.42 g/mol, XLogP of 12.43, 0 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 157077798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).