N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride

C30H35Cl6N5O — CID 90665201

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride (PubChem CID 90665201) has the molecular formula C30H35Cl6N5O and a molecular weight of 694.36 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride.

Molecular Properties

• Compound Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
• PubChem CID: 90665201
• Molecular Formula: C30H35Cl6N5O
• Molecular Weight: 694.36 g/mol
• Exact Mass: 691.10
• IUPAC Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
• SMILES: Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C30H31Cl2N5O.4ClH/c1-22-28(34-29(23-10-4-2-5-11-23)37(22)24-12-6-3-7-13-24)30(38)33-16-9-17-35-18-20-36(21-19-35)26-15-8-14-25(31)27(26)32;;;;/h2-8,10-15H,9,16-21H2,1H3,(H,33,38);4*1H
• InChIKey: CGWQHMXRAWXWKF-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.36
LogP ≤ 5	7.78
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-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride?

The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride (CID 90665201) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride.

What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride?

The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride is Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1.Cl.Cl.Cl.Cl.

What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride?

The InChIKey is CGWQHMXRAWXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N5O.4ClH/c1-22-28(34-29(23-10-4-2-5-11-23)37(22)24-12-6-3-7-13-24)30(38)33-16-9-17-35-18-20-36(21-19-35)26-15-8-14-25(31)27(26)32;;;;/h2-8,10-15H,9,16-21H2,1H3,(H,33,38);4*1H.

What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride?

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride has a molecular weight of 694.36 g/mol, XLogP of 7.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride is sourced from PubChem (CID 90665201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).