1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid

C98H86F4N12O10 — CID 157073374

About 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid

1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid (PubChem CID 157073374) has the molecular formula C98H86F4N12O10 and a molecular weight of 1667.83 g/mol. Its IUPAC name is 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid
• PubChem CID: 157073374
• Molecular Formula: C98H86F4N12O10
• Molecular Weight: 1667.83 g/mol
• Exact Mass: 1666.65
• IUPAC Name: 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid
• SMILES: Cn1cnc2c(C(=O)O)cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc21.Cn1cnc2cc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)cc(C(=O)O)c21.Cn1cnc2cc(-c3ccc(-c4cccc(CN5CCCC5)c4)cc3)cc(C(=O)O)c21.Cn1nc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c2n1
• InChI: InChI=1S/C26H25N3O3.C26H25N3O2.C25H24N4O3.C21H12F4N2O2/c1-28-17-27-25-23(26(30)31)14-22(15-24(25)28)20-7-5-19(6-8-20)21-4-2-3-18(13-21)16-29-9-11-32-12-10-29;1-28-17-27-24-15-22(14-23(25(24)28)26(30)31)20-9-7-19(8-10-20)21-6-4-5-18(13-21)16-29-11-2-3-12-29;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;1-27-9-26-13-8-11(7-12(20(13)27)21(28)29)15-18(24)16(22)14(17(23)19(15)25)10-5-3-2-4-6-10/h2-8,13-15,17H,9-12,16H2,1H3,(H,30,31);4-10,13-15,17H,2-3,11-12,16H2,1H3,(H,30,31);2-8,13-15H,9-12,16H2,1H3,(H,30,31);2-9H,1H3,(H,28,29)
• InChIKey: ACRMXXMSGNAUKO-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 261.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.83
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid?

The IUPAC name of 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid (CID 157073374) is 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid.

What is the SMILES notation for 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid?

The canonical SMILES for 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid is Cn1cnc2c(C(=O)O)cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc21.Cn1cnc2cc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)cc(C(=O)O)c21.Cn1cnc2cc(-c3ccc(-c4cccc(CN5CCCC5)c4)cc3)cc(C(=O)O)c21.Cn1nc2cc(-c3ccc(-c4cccc(CN5CCOCC5)c4)cc3)cc(C(=O)O)c2n1.

What is the InChIKey of 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid?

The InChIKey is ACRMXXMSGNAUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3.C26H25N3O2.C25H24N4O3.C21H12F4N2O2/c1-28-17-27-25-23(26(30)31)14-22(15-24(25)28)20-7-5-19(6-8-20)21-4-2-3-18(13-21)16-29-9-11-32-12-10-29;1-28-17-27-24-15-22(14-23(25(24)28)26(30)31)20-9-7-19(8-10-20)21-6-4-5-18(13-21)16-29-11-2-3-12-29;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;1-27-9-26-13-8-11(7-12(20(13)27)21(28)29)15-18(24)16(22)14(17(23)19(15)25)10-5-3-2-4-6-10/h2-8,13-15,17H,9-12,16H2,1H3,(H,30,31);4-10,13-15,17H,2-3,11-12,16H2,1H3,(H,30,31);2-8,13-15H,9-12,16H2,1H3,(H,30,31);2-9H,1H3,(H,28,29).

What are the key properties of 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid?

1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 1667.83 g/mol, XLogP of 18.63, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-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;3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 157073374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).