bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole

C108H97Cl9N18O10 — CID 159951383

About bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole

bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole (PubChem CID 159951383) has the molecular formula C108H97Cl9N18O10 and a molecular weight of 2126.16 g/mol. Its IUPAC name is bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole.

Molecular Properties

• Compound Name: bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole
• PubChem CID: 159951383
• Molecular Formula: C108H97Cl9N18O10
• Molecular Weight: 2126.16 g/mol
• Exact Mass: 2120.48
• IUPAC Name: bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole
• SMILES: CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cl)c1.Cn1c(-c2ccc(Cl)cc2)nc2cc(N)ccc21.Cn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.Cn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.Cn1c(-c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21.O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1
• InChI: InChI=1S/2C27H26Cl2N4O2.C14H10ClN3O2.C14H12ClN3.C13H15Cl2NO2.C13H8ClN3O2/c2*1-27(2,3)26(35)30-15-16-5-11-21(29)20(13-16)25(34)31-19-10-12-23-22(14-19)32-24(33(23)4)17-6-8-18(28)9-7-17;1-17-13-7-6-11(18(19)20)8-12(13)16-14(17)9-2-4-10(15)5-3-9;1-18-13-7-6-11(16)8-12(13)17-14(18)9-2-4-10(15)5-3-9;1-13(2,3)12(18)16-7-8-4-5-10(14)9(6-8)11(15)17;14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h2*5-14H,15H2,1-4H3,(H,30,35)(H,31,34);2-8H,1H3;2-8H,16H2,1H3;4-6H,7H2,1-3H3,(H,16,18);1-7H,(H,15,16)
• InChIKey: OCDRNSNGNBGWQN-UHFFFAOYSA-N
• XLogP: 27.37
• TPSA: 374.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.16
LogP ≤ 5	27.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole?

The IUPAC name of bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole (CID 159951383) is bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole.

What is the SMILES notation for bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole?

The canonical SMILES for bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole is CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cl)c1.Cn1c(-c2ccc(Cl)cc2)nc2cc(N)ccc21.Cn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.Cn1c(-c2ccc(Cl)cc2)nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.Cn1c(-c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21.O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1.

What is the InChIKey of bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole?

The InChIKey is OCDRNSNGNBGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26Cl2N4O2.C14H10ClN3O2.C14H12ClN3.C13H15Cl2NO2.C13H8ClN3O2/c2*1-27(2,3)26(35)30-15-16-5-11-21(29)20(13-16)25(34)31-19-10-12-23-22(14-19)32-24(33(23)4)17-6-8-18(28)9-7-17;1-17-13-7-6-11(18(19)20)8-12(13)16-14(17)9-2-4-10(15)5-3-9;1-18-13-7-6-11(16)8-12(13)17-14(18)9-2-4-10(15)5-3-9;1-13(2,3)12(18)16-7-8-4-5-10(14)9(6-8)11(15)17;14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h2*5-14H,15H2,1-4H3,(H,30,35)(H,31,34);2-8H,1H3;2-8H,16H2,1H3;4-6H,7H2,1-3H3,(H,16,18);1-7H,(H,15,16).

What are the key properties of bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole?

bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole has a molecular weight of 2126.16 g/mol, XLogP of 27.37, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide);2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl chloride;2-(4-chlorophenyl)-1-methylbenzimidazol-5-amine;2-(4-chlorophenyl)-1-methyl-5-nitrobenzimidazole;2-(4-chlorophenyl)-6-nitro-1H-benzimidazole is sourced from PubChem (CID 159951383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).