2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole

C122H97Cl2N19O2 — CID 158876693

About 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole

2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole (PubChem CID 158876693) has the molecular formula C122H97Cl2N19O2 and a molecular weight of 1932.15 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole
• PubChem CID: 158876693
• Molecular Formula: C122H97Cl2N19O2
• Molecular Weight: 1932.15 g/mol
• Exact Mass: 1929.74
• IUPAC Name: 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole
• SMILES: Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Clc1ccc2nc(-c3ccccc3)[nH]c2c1.Clc1ccccc1-c1nc2ccccc2[nH]1.O=[N+]([O-])c1ccccc1-c1nc2ccccc2[nH]1.c1ccc(-c2nc3ccccc3[nH]2)cc1
• InChI: InChI=1S/5C14H12N2.2C13H9ClN2.C13H9N3O2.C13H10N2/c2*1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;3*1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;17-16(18)12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h5*2-9H,1H3,(H,15,16);2*1-8H,(H,15,16);1-8H,(H,14,15);1-9H,(H,14,15)
• InChIKey: JCNHEPLNRRRTLA-UHFFFAOYSA-N
• XLogP: 31.83
• TPSA: 301.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1932.15
LogP ≤ 5	31.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

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-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole?

The IUPAC name of 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole (CID 158876693) is 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole.

What is the SMILES notation for 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole?

The canonical SMILES for 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole is Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1ccc(-c2nc3ccccc3[nH]2)cc1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Cc1cccc(-c2nc3ccccc3[nH]2)c1.Clc1ccc2nc(-c3ccccc3)[nH]c2c1.Clc1ccccc1-c1nc2ccccc2[nH]1.O=[N+]([O-])c1ccccc1-c1nc2ccccc2[nH]1.c1ccc(-c2nc3ccccc3[nH]2)cc1.

What is the InChIKey of 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole?

The InChIKey is JCNHEPLNRRRTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H12N2.2C13H9ClN2.C13H9N3O2.C13H10N2/c2*1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14;3*1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14;14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;17-16(18)12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h5*2-9H,1H3,(H,15,16);2*1-8H,(H,15,16);1-8H,(H,14,15);1-9H,(H,14,15).

What are the key properties of 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole?

2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole has a molecular weight of 1932.15 g/mol, XLogP of 31.83, 10 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-1H-benzimidazole;6-chloro-2-phenyl-1H-benzimidazole;bis(2-(3-methylphenyl)-1H-benzimidazole);tris(2-(4-methylphenyl)-1H-benzimidazole);2-(2-nitrophenyl)-1H-benzimidazole;2-phenyl-1H-benzimidazole is sourced from PubChem (CID 158876693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).