N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride

C28H37Cl4N5O — CID 67495550

About N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride (PubChem CID 67495550) has the molecular formula C28H37Cl4N5O and a molecular weight of 601.45 g/mol. Its IUPAC name is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride
• PubChem CID: 67495550
• Molecular Formula: C28H37Cl4N5O
• Molecular Weight: 601.45 g/mol
• Exact Mass: 599.18
• IUPAC Name: N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride
• SMILES: CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(Cl)cc1.Cl.Cl
• InChI: InChI=1S/C28H35Cl2N5O.2ClH/c1-4-7-26-32-27(21(3)35(26)23-12-10-22(29)11-13-23)28(36)31-14-6-15-33-16-18-34(19-17-33)25-9-5-8-24(30)20(25)2;;/h5,8-13H,4,6-7,14-19H2,1-3H3,(H,31,36);2*1H
• InChIKey: BQQJWKAPHYXCLQ-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.45
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride?

The IUPAC name of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride (CID 67495550) is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride?

The canonical SMILES for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride is CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(Cl)cc1.Cl.Cl.

What is the InChIKey of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride?

The InChIKey is BQQJWKAPHYXCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2N5O.2ClH/c1-4-7-26-32-27(21(3)35(26)23-12-10-22(29)11-13-23)28(36)31-14-6-15-33-16-18-34(19-17-33)25-9-5-8-24(30)20(25)2;;/h5,8-13H,4,6-7,14-19H2,1-3H3,(H,31,36);2*1H.

What are the key properties of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride?

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 601.45 g/mol, XLogP of 6.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67495550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).