6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid

C134H123N21O13 — CID 159075692

About 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid

6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid (PubChem CID 159075692) has the molecular formula C134H123N21O13 and a molecular weight of 2235.59 g/mol. Its IUPAC name is 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid
• PubChem CID: 159075692
• Molecular Formula: C134H123N21O13
• Molecular Weight: 2235.59 g/mol
• Exact Mass: 2233.96
• IUPAC Name: 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid
• SMILES: Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)O)c3c(c2)ncn3C)cc1.Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)O)c3ncn(C)c3c2)cc1.Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)O)c3nn(C)nc3c2)cc1.Cc1ccccc1-c1ccc(-c2cc(C(N)=O)c3nn(C)nc3c2)cc1.Cn1cnc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c21.Cn1nc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c2n1
• InChI: InChI=1S/C26H25N3O3.C25H24N4O3.C21H18N4O.2C21H19N3O2.C20H18N4O2/c1-28-17-27-24-15-22(14-23(25(24)28)26(30)31)20-7-5-19(6-8-20)21-4-2-3-18(13-21)16-29-9-11-32-12-10-29;1-28-26-23-15-21(14-22(25(30)31)24(23)27-28)19-7-5-18(6-8-19)20-4-2-3-17(13-20)16-29-9-11-32-12-10-29;1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(22)26)20-19(12-16)23-25(2)24-20;1-13-4-5-14(2)24(13)17-8-6-15(7-9-17)16-10-18(21(25)26)20-19(11-16)23(3)12-22-20;1-13-4-5-14(2)24(13)17-8-6-15(7-9-17)16-10-18(21(25)26)20-19(11-16)22-12-23(20)3;1-12-4-5-13(2)24(12)16-8-6-14(7-9-16)15-10-17(20(25)26)19-18(11-15)21-23(3)22-19/h2-8,13-15,17H,9-12,16H2,1H3,(H,30,31);2-8,13-15H,9-12,16H2,1H3,(H,30,31);3-12H,1-2H3,(H2,22,26);2*4-12H,1-3H3,(H,25,26);4-11H,1-3H3,(H,25,26)
• InChIKey: KAFHVCOPQMAGTD-UHFFFAOYSA-N
• XLogP: 24.41
• TPSA: 414.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.59
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid?

The IUPAC name of 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid (CID 159075692) is 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid.

What is the SMILES notation for 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid?

The canonical SMILES for 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid is Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)O)c3c(c2)ncn3C)cc1.Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)O)c3ncn(C)c3c2)cc1.Cc1ccc(C)n1-c1ccc(-c2cc(C(=O)O)c3nn(C)nc3c2)cc1.Cc1ccccc1-c1ccc(-c2cc(C(N)=O)c3nn(C)nc3c2)cc1.Cn1cnc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c21.Cn1nc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c2n1.

What is the InChIKey of 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid?

The InChIKey is KAFHVCOPQMAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3.C25H24N4O3.C21H18N4O.2C21H19N3O2.C20H18N4O2/c1-28-17-27-24-15-22(14-23(25(24)28)26(30)31)20-7-5-19(6-8-20)21-4-2-3-18(13-21)16-29-9-11-32-12-10-29;1-28-26-23-15-21(14-22(25(30)31)24(23)27-28)19-7-5-18(6-8-19)20-4-2-3-17(13-20)16-29-9-11-32-12-10-29;1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(22)26)20-19(12-16)23-25(2)24-20;1-13-4-5-14(2)24(13)17-8-6-15(7-9-17)16-10-18(21(25)26)20-19(11-16)23(3)12-22-20;1-13-4-5-14(2)24(13)17-8-6-15(7-9-17)16-10-18(21(25)26)20-19(11-16)22-12-23(20)3;1-12-4-5-13(2)24(12)16-8-6-14(7-9-16)15-10-17(20(25)26)19-18(11-15)21-23(3)22-19/h2-8,13-15,17H,9-12,16H2,1H3,(H,30,31);2-8,13-15H,9-12,16H2,1H3,(H,30,31);3-12H,1-2H3,(H2,22,26);2*4-12H,1-3H3,(H,25,26);4-11H,1-3H3,(H,25,26).

What are the key properties of 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid?

6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid has a molecular weight of 2235.59 g/mol, XLogP of 24.41, 22 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid is sourced from PubChem (CID 159075692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).