bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)

C94H130N30O2S2 — CID 157265012

About bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)

bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) (PubChem CID 157265012) has the molecular formula C94H130N30O2S2 and a molecular weight of 1776.42 g/mol. Its IUPAC name is bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
• PubChem CID: 157265012
• Molecular Formula: C94H130N30O2S2
• Molecular Weight: 1776.42 g/mol
• Exact Mass: 1775.04
• IUPAC Name: bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
• SMILES: CC1=CC(C)=NC1.CC1=CC(C)=NC1.Cc1ccc2[nH]c(C)nc2n1.Cc1ccc2[nH]c(C)nc2n1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1
• InChI: InChI=1S/2C9H10N2.2C8H9N3.2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3/c2*1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-5-3-4-7-8(9-5)11-6(2)10-7;2*1-5-3-6(2)7-4-5;8*1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3/h2*3-5H,1-2H3,(H,10,11);2*3-4H,1-2H3,(H,9,10,11);2*3H,4H2,1-2H3;4*3H,1-2H3,(H,6,7);4*3H,1-2H3;2*1-2H3,(H,5,6,7)
• InChIKey: AXWXNQPSGIXCTP-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 440.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.42
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) (CID 157265012) is bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole).

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

The canonical SMILES for bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) is CC1=CC(C)=NC1.CC1=CC(C)=NC1.Cc1ccc2[nH]c(C)nc2n1.Cc1ccc2[nH]c(C)nc2n1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.

What is the InChIKey of bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)?

The InChIKey is AXWXNQPSGIXCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.2C8H9N3.2C6H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3/c2*1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-5-3-4-7-8(9-5)11-6(2)10-7;2*1-5-3-6(2)7-4-5;8*1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3/h2*3-5H,1-2H3,(H,10,11);2*3-4H,1-2H3,(H,9,10,11);2*3H,4H2,1-2H3;4*3H,1-2H3,(H,6,7);4*3H,1-2H3;2*1-2H3,(H,5,6,7).

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

bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) has a molecular weight of 1776.42 g/mol, XLogP of 21.38, 0 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole) is sourced from PubChem (CID 157265012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).