N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride

C26H35Cl6N5O — CID 90664598

About N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride (PubChem CID 90664598) has the molecular formula C26H35Cl6N5O and a molecular weight of 646.32 g/mol. Its IUPAC name is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride.

Molecular Properties

• Compound Name: N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride
• PubChem CID: 90664598
• Molecular Formula: C26H35Cl6N5O
• Molecular Weight: 646.32 g/mol
• Exact Mass: 643.10
• IUPAC Name: N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride
• SMILES: Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(C)n(-c3ccccc3Cl)c2C)CC1.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C26H31Cl2N5O.4ClH/c1-18-21(27)9-6-11-23(18)32-16-14-31(15-17-32)13-7-12-29-26(34)25-19(2)33(20(3)30-25)24-10-5-4-8-22(24)28;;;;/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34);4*1H
• InChIKey: DRBJQVSARVVSFS-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.32
LogP ≤ 5	6.73
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-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride?

The IUPAC name of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride (CID 90664598) is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride.

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

The canonical SMILES for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride is Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(C)n(-c3ccccc3Cl)c2C)CC1.Cl.Cl.Cl.Cl.

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

The InChIKey is DRBJQVSARVVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N5O.4ClH/c1-18-21(27)9-6-11-23(18)32-16-14-31(15-17-32)13-7-12-29-26(34)25-19(2)33(20(3)30-25)24-10-5-4-8-22(24)28;;;;/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34);4*1H.

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

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride has a molecular weight of 646.32 g/mol, XLogP of 6.73, 7 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-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride is sourced from PubChem (CID 90664598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).