N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine

C59H52Cl3F3N12O7 — CID 157188652

About N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine

N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine (PubChem CID 157188652) has the molecular formula C59H52Cl3F3N12O7 and a molecular weight of 1204.49 g/mol. Its IUPAC name is N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine
• PubChem CID: 157188652
• Molecular Formula: C59H52Cl3F3N12O7
• Molecular Weight: 1204.49 g/mol
• Exact Mass: 1202.31
• IUPAC Name: N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine
• SMILES: Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CCN2CCOCC2)c1.O=[N+]([O-])c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.O=[N+]([O-])c1ccc(Cl)c(-c2nc3ccccc3n2CCN2CCOCC2)c1
• InChI: InChI=1S/C27H25ClF3N5O2.C19H19ClN4O3.C13H8ClN3O2/c1-17-19(7-9-24(32-17)27(29,30)31)26(37)33-18-6-8-21(28)20(16-18)25-34-22-4-2-3-5-23(22)36(25)11-10-35-12-14-38-15-13-35;20-16-6-5-14(24(25)26)13-15(16)19-21-17-3-1-2-4-18(17)23(19)8-7-22-9-11-27-12-10-22;14-10-6-5-8(17(18)19)7-9(10)13-15-11-3-1-2-4-12(11)16-13/h2-9,16H,10-15H2,1H3,(H,33,37);1-6,13H,7-12H2;1-7H,(H,15,16)
• InChIKey: APKWFZPAHMLHGK-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 217.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.49
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	2
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 N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine?

The IUPAC name of N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine (CID 157188652) is N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine.

What is the SMILES notation for N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine?

The canonical SMILES for N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CCN2CCOCC2)c1.O=[N+]([O-])c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.O=[N+]([O-])c1ccc(Cl)c(-c2nc3ccccc3n2CCN2CCOCC2)c1.

What is the InChIKey of N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine?

The InChIKey is APKWFZPAHMLHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N5O2.C19H19ClN4O3.C13H8ClN3O2/c1-17-19(7-9-24(32-17)27(29,30)31)26(37)33-18-6-8-21(28)20(16-18)25-34-22-4-2-3-5-23(22)36(25)11-10-35-12-14-38-15-13-35;20-16-6-5-14(24(25)26)13-15(16)19-21-17-3-1-2-4-18(17)23(19)8-7-22-9-11-27-12-10-22;14-10-6-5-8(17(18)19)7-9(10)13-15-11-3-1-2-4-12(11)16-13/h2-9,16H,10-15H2,1H3,(H,33,37);1-6,13H,7-12H2;1-7H,(H,15,16).

What are the key properties of N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine?

N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine has a molecular weight of 1204.49 g/mol, XLogP of 13.05, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-(2-chloro-5-nitrophenyl)-1H-benzimidazole;4-[2-[2-(2-chloro-5-nitrophenyl)benzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 157188652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).