bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)

C112H102N24O9 — CID 157163680

About bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)

bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol) (PubChem CID 157163680) has the molecular formula C112H102N24O9 and a molecular weight of 1928.21 g/mol. Its IUPAC name is bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol).

Molecular Properties

• Compound Name: bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)
• PubChem CID: 157163680
• Molecular Formula: C112H102N24O9
• Molecular Weight: 1928.21 g/mol
• Exact Mass: 1926.83
• IUPAC Name: bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)
• SMILES: COc1cccc2[nH]c(-c3cccc(C)n3)nc12.COc1cccc2[nH]c(-c3cccc(C)n3)nc12.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1ccnc(-c2nc3ccc(CO)cc3[nH]2)c1.Cc1ccnc(-c2nc3ccc(OC=O)cc3[nH]2)c1
• InChI: InChI=1S/C14H11N3O2.7C14H13N3O/c1-9-4-5-15-13(6-9)14-16-11-3-2-10(19-8-18)7-12(11)17-14;2*1-9-5-3-7-11(15-9)14-16-10-6-4-8-12(18-2)13(10)17-14;1-9-4-5-15-13(6-9)14-16-11-3-2-10(8-18)7-12(11)17-14;4*1-9-3-2-4-12(15-9)14-16-11-6-5-10(8-18)7-13(11)17-14/h2-8H,1H3,(H,16,17);2*3-8H,1-2H3,(H,16,17);5*2-7,18H,8H2,1H3,(H,16,17)
• InChIKey: AMQXGMKHYWGPPH-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 478.47 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.21
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)?

The IUPAC name of bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol) (CID 157163680) is bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol).

What is the SMILES notation for bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)?

The canonical SMILES for bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol) is COc1cccc2[nH]c(-c3cccc(C)n3)nc12.COc1cccc2[nH]c(-c3cccc(C)n3)nc12.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(CO)cc3[nH]2)n1.Cc1ccnc(-c2nc3ccc(CO)cc3[nH]2)c1.Cc1ccnc(-c2nc3ccc(OC=O)cc3[nH]2)c1.

What is the InChIKey of bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)?

The InChIKey is AMQXGMKHYWGPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2.7C14H13N3O/c1-9-4-5-15-13(6-9)14-16-11-3-2-10(19-8-18)7-12(11)17-14;2*1-9-5-3-7-11(15-9)14-16-10-6-4-8-12(18-2)13(10)17-14;1-9-4-5-15-13(6-9)14-16-11-3-2-10(8-18)7-12(11)17-14;4*1-9-3-2-4-12(15-9)14-16-11-6-5-10(8-18)7-13(11)17-14/h2-8H,1H3,(H,16,17);2*3-8H,1-2H3,(H,16,17);5*2-7,18H,8H2,1H3,(H,16,17).

What are the key properties of bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol)?

bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol) has a molecular weight of 1928.21 g/mol, XLogP of 20.48, 17 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl] formate;[2-(4-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;tetrakis([2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol) is sourced from PubChem (CID 157163680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).