2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)

C126H107ClN32O — CID 160797843

About 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)

2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole) (PubChem CID 160797843) has the molecular formula C126H107ClN32O and a molecular weight of 2120.92 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole).

Molecular Properties

• Compound Name: 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)
• PubChem CID: 160797843
• Molecular Formula: C126H107ClN32O
• Molecular Weight: 2120.92 g/mol
• Exact Mass: 2118.90
• IUPAC Name: 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)
• SMILES: C.Cc1ccc(-n2cc(Cn3c(-c4ccccc4)nc4ccccc43)nn2)cc1.Cc1ccc(-n2cc(Cn3c(-c4ccccc4)nc4ccccc43)nn2)cc1.Cc1ccc(-n2cc(Cn3c(-c4ccccn4)nc4ccccc43)nn2)cc1.Cc1ccc(-n2cc(Cn3c(-c4ccccn4)nc4ccccc43)nn2)cc1.Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1.Clc1ccc(-n2cc(Cn3c(C4=CCC=N4)nc4ccccc43)nn2)cc1
• InChI: InChI=1S/2C23H19N5.2C22H18N6.C20H15ClN6.C15H14N4O.CH4/c2*1-17-11-13-20(14-12-17)28-16-19(25-26-28)15-27-22-10-6-5-9-21(22)24-23(27)18-7-3-2-4-8-18;2*1-16-9-11-18(12-10-16)28-15-17(25-26-28)14-27-21-8-3-2-6-19(21)24-22(27)20-7-4-5-13-23-20;21-14-7-9-16(10-8-14)27-13-15(24-25-27)12-26-19-6-2-1-4-17(19)23-20(26)18-5-3-11-22-18;1-11-6-8-12(9-7-11)16-15(20)10-19-14-5-3-2-4-13(14)17-18-19;/h2*2-14,16H,15H2,1H3;2*2-13,15H,14H2,1H3;1-2,4-11,13H,3,12H2;2-9H,10H2,1H3,(H,16,20);1H4
• InChIKey: SCRCLRFYNAWMNJ-UHFFFAOYSA-N
• XLogP: 24.50
• TPSA: 340.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.92
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)?

The IUPAC name of 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole) (CID 160797843) is 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole).

What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)?

The canonical SMILES for 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole) is C.Cc1ccc(-n2cc(Cn3c(-c4ccccc4)nc4ccccc43)nn2)cc1.Cc1ccc(-n2cc(Cn3c(-c4ccccc4)nc4ccccc43)nn2)cc1.Cc1ccc(-n2cc(Cn3c(-c4ccccn4)nc4ccccc43)nn2)cc1.Cc1ccc(-n2cc(Cn3c(-c4ccccn4)nc4ccccc43)nn2)cc1.Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1.Clc1ccc(-n2cc(Cn3c(C4=CCC=N4)nc4ccccc43)nn2)cc1.

What is the InChIKey of 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)?

The InChIKey is SCRCLRFYNAWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N5.2C22H18N6.C20H15ClN6.C15H14N4O.CH4/c2*1-17-11-13-20(14-12-17)28-16-19(25-26-28)15-27-22-10-6-5-9-21(22)24-23(27)18-7-3-2-4-8-18;2*1-16-9-11-18(12-10-16)28-15-17(25-26-28)14-27-21-8-3-2-6-19(21)24-22(27)20-7-4-5-13-23-20;21-14-7-9-16(10-8-14)27-13-15(24-25-27)12-26-19-6-2-1-4-17(19)23-20(26)18-5-3-11-22-18;1-11-6-8-12(9-7-11)16-15(20)10-19-14-5-3-2-4-13(14)17-18-19;/h2*2-14,16H,15H2,1H3;2*2-13,15H,14H2,1H3;1-2,4-11,13H,3,12H2;2-9H,10H2,1H3,(H,16,20);1H4.

What are the key properties of 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole)?

2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole) has a molecular weight of 2120.92 g/mol, XLogP of 24.50, 23 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzotriazol-1-yl)-N-(4-methylphenyl)acetamide;1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3H-pyrrol-5-yl)benzimidazole;methane;bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-phenylbenzimidazole);bis(1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole) is sourced from PubChem (CID 160797843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).