2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol

C153H127N23O5 — CID 158235827

About 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol

2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol (PubChem CID 158235827) has the molecular formula C153H127N23O5 and a molecular weight of 2367.85 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol
• PubChem CID: 158235827
• Molecular Formula: C153H127N23O5
• Molecular Weight: 2367.85 g/mol
• Exact Mass: 2366.04
• IUPAC Name: 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol
• SMILES: Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1ccccc1-c1nc2ccccc2[nH]1.O=C(O)c1ccccc1-c1nc2ccccc2[nH]1.O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1.OCc1ccc2nc(-c3ccccc3)[nH]c2c1
• InChI: InChI=1S/C14H10N2O2.C14H12N2O.8C14H12N2.C13H9N3O2/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;17-9-10-6-7-12-13(8-10)16-14(15-12)11-4-2-1-3-5-11;3*1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13(12)16-14;3*1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18);1-8,17H,9H2,(H,15,16);8*2-9H,1H3,(H,15,16);1-8H,(H,14,15)
• InChIKey: GEYHXBOQWYCGOQ-UHFFFAOYSA-N
• XLogP: 37.09
• TPSA: 416.15 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.85
LogP ≤ 5	37.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol?

The IUPAC name of 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol (CID 158235827) is 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol is Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc2nc(-c3ccccc3)[nH]c2c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1ccccc1-c1nc2ccccc2[nH]1.O=C(O)c1ccccc1-c1nc2ccccc2[nH]1.O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1.OCc1ccc2nc(-c3ccccc3)[nH]c2c1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol?

The InChIKey is GEYHXBOQWYCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2.C14H12N2O.8C14H12N2.C13H9N3O2/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;17-9-10-6-7-12-13(8-10)16-14(15-12)11-4-2-1-3-5-11;3*1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13(12)16-14;3*1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11;17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18);1-8,17H,9H2,(H,15,16);8*2-9H,1H3,(H,15,16);1-8H,(H,14,15).

What are the key properties of 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol?

2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol has a molecular weight of 2367.85 g/mol, XLogP of 37.09, 14 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)benzoic acid;2-(2-methylphenyl)-1H-benzimidazole;tris(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);6-methyl-2-phenyl-1H-benzimidazole;6-nitro-2-phenyl-1H-benzimidazole;(2-phenyl-3H-benzimidazol-5-yl)methanol is sourced from PubChem (CID 158235827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).