bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide

C85H67Cl3N14O4 — CID 159638432

About bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide

bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide (PubChem CID 159638432) has the molecular formula C85H67Cl3N14O4 and a molecular weight of 1454.92 g/mol. Its IUPAC name is bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide
• PubChem CID: 159638432
• Molecular Formula: C85H67Cl3N14O4
• Molecular Weight: 1454.92 g/mol
• Exact Mass: 1452.45
• IUPAC Name: bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide
• SMILES: Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1.Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1.O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1.[C-]#[N+]c1ccc(NC(=O)Cn2c(C3=CCC=N3)nc3ccccc32)cc1
• InChI: InChI=1S/2C22H18ClN3O.C21H16ClN3O.C20H15N5O/c2*1-15-6-8-16(9-7-15)22-25-19-4-2-3-5-20(19)26(22)14-21(27)24-18-12-10-17(23)11-13-18;22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15;1-21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-3-2-5-16(18)24-20(25)17-6-4-12-22-17/h2*2-13H,14H2,1H3,(H,24,27);1-13H,14H2,(H,23,26);2-3,5-12H,4,13H2,(H,23,26)
• InChIKey: MQANYOIFTGDMJH-UHFFFAOYSA-N
• XLogP: 19.64
• TPSA: 204.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1454.92
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide?

The IUPAC name of bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide (CID 159638432) is bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide.

What is the SMILES notation for bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide?

The canonical SMILES for bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide is Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1.Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1.O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1.[C-]#[N+]c1ccc(NC(=O)Cn2c(C3=CCC=N3)nc3ccccc32)cc1.

What is the InChIKey of bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide?

The InChIKey is MQANYOIFTGDMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18ClN3O.C21H16ClN3O.C20H15N5O/c2*1-15-6-8-16(9-7-15)22-25-19-4-2-3-5-20(19)26(22)14-21(27)24-18-12-10-17(23)11-13-18;22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15;1-21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-3-2-5-16(18)24-20(25)17-6-4-12-22-17/h2*2-13H,14H2,1H3,(H,24,27);1-13H,14H2,(H,23,26);2-3,5-12H,4,13H2,(H,23,26).

What are the key properties of bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide?

bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide has a molecular weight of 1454.92 g/mol, XLogP of 19.64, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(4-chlorophenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide);N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-isocyanophenyl)-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 159638432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).