N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide

C48H56Cl2N8O4 — CID 66786733

About N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide

N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide (PubChem CID 66786733) has the molecular formula C48H56Cl2N8O4 and a molecular weight of 879.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide
• PubChem CID: 66786733
• Molecular Formula: C48H56Cl2N8O4
• Molecular Weight: 879.93 g/mol
• Exact Mass: 878.38
• IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide
• SMILES: COCCCn1c(C2CCCN(C(=O)Nc3ccc(C)c(Cl)c3)C2C2C(c3nc4ccccc4n3CCCOC)CCCN2C(=O)Nc2ccc(C)c(Cl)c2)nc2ccccc21
• InChI: InChI=1S/C48H56Cl2N8O4/c1-31-19-21-33(29-37(31)49)51-47(59)57-23-9-13-35(45-53-39-15-5-7-17-41(39)55(45)25-11-27-61-3)43(57)44-36(46-54-40-16-6-8-18-42(40)56(46)26-12-28-62-4)14-10-24-58(44)48(60)52-34-22-20-32(2)38(50)30-34/h5-8,15-22,29-30,35-36,43-44H,9-14,23-28H2,1-4H3,(H,51,59)(H,52,60)
• InChIKey: PTLMZFXPEUORBZ-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 118.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.93
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide (CID 66786733) is N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide is COCCCn1c(C2CCCN(C(=O)Nc3ccc(C)c(Cl)c3)C2C2C(c3nc4ccccc4n3CCCOC)CCCN2C(=O)Nc2ccc(C)c(Cl)c2)nc2ccccc21.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide?

The InChIKey is PTLMZFXPEUORBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56Cl2N8O4/c1-31-19-21-33(29-37(31)49)51-47(59)57-23-9-13-35(45-53-39-15-5-7-17-41(39)55(45)25-11-27-61-3)43(57)44-36(46-54-40-16-6-8-18-42(40)56(46)26-12-28-62-4)14-10-24-58(44)48(60)52-34-22-20-32(2)38(50)30-34/h5-8,15-22,29-30,35-36,43-44H,9-14,23-28H2,1-4H3,(H,51,59)(H,52,60).

What are the key properties of N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide?

N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 879.93 g/mol, XLogP of 10.64, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)carbamoyl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-2-yl]-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 66786733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).